SCHEMBL9948973

SCHEMBL9948973

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CP(=O)(OCC)OCC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 9/20 0.83
STK3 Q13188 9/20 0.80
EGFR P00533 9/20 0.78
ERBB2 P04626 4/20 0.78
BTK Q06187 2/20 0.71
STK25 O00506 1/20 0.71
MAP2K7 O14733 1/20 0.71
CHEK1 O14757 1/20 0.71
GAK O14976 1/20 0.71
EPHB6 O15197 1/20 0.71
ABCC4 O15439 1/20 0.71
MAP3K13 O43283 1/20 0.71
NUAK1 O60285 1/20 0.71
STK17B O94768 1/20 0.71
STK10 O94804 1/20 0.71
PRKD3 O94806 1/20 0.71
ABCB11 O95342 1/20 0.71
MAP4K4 O95819 1/20 0.71
CHEK2 O96017 1/20 0.71
ABL1 P00519 1/20 0.71

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30362770 1.00 STK4 (0.83) STK4STK3EGFRERBB2BTK
SCHEMBL19480018 0.93 STK4 (0.73) STK4STK3EGFRERBB2BTK
SCHEMBL10080596 0.93 STK4 (0.76) STK4STK3EGFRERBB2BTK
SCHEMBL22419770 0.91 STK4 (1.00) STK4STK3EGFRERBB2BTK
SCHEMBL22419640 0.91 STK4 (0.90) STK4STK3EGFRERBB2BTK
SCHEMBL11941924 0.90 STK4 (0.67) STK4STK3EGFRERBB2BTK
SCHEMBL3476976 0.89 STK4 (0.88) STK4STK3EGFRERBB2BTK
SCHEMBL2384641 0.89 STK3 (1.00) STK4STK3EGFRERBB2BTK
SCHEMBL33532011 0.89 STK3 (1.00) STK4STK3EGFRERBB2BTK
SCHEMBL22419782 0.89 STK3 (1.00) STK4STK3EGFRERBB2BTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303523-A1 METHOD FOR PREPARING PYROTINIB SUZHOU FUSHILAI PHARMACEUTICAL CO., LTD (CN) 2023-09-28 US disclosed
US-20230303523-A1 METHOD FOR PREPARING PYROTINIB SUZHOU FUSHILAI PHARMACEUTICAL CO., LTD (CN) 2023-09-28 US disclosed
CN-115974842-A Preparation method of pyrroltinib 苏州宝圣医药科技有限公司 2023-04-18 CN disclosed
WO-2022088573-A1 METHOD FOR PREPARING PYROTINIB 苏州富士莱医药股份有限公司 2022-05-05 WO disclosed
EP-2479174-B1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-18 EP disclosed
EP-2479174-B1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-18 EP disclosed
EP-2684877-B1 PHARMACEUTICALLY ACCEPTABLE SALT OF (E)-N-[4-[[3-CHLORO-4-(2-PYRIDYLMETHOXY)PHENYL]AMINO]-3-CYANO-7-ETHOXY-6-QUINOLYL]-3-[(2R)-1-METHYLPYRROLIDIN-2-YL]PROP-2-ENAMIDE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF SHANGHAI HENGRUI PHARM CO LTD (CN) 2016-10-19 EP disclosed
EP-2684877-B1 PHARMACEUTICALLY ACCEPTABLE SALT OF (E)-N-[4-[[3-CHLORO-4-(2-PYRIDYLMETHOXY)PHENYL]AMINO]-3-CYANO-7-ETHOXY-6-QUINOLYL]-3-[(2R)-1-METHYLPYRROLIDIN-2-YL]PROP-2-ENAMIDE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF SHANGHAI HENGRUI PHARM CO LTD (CN) 2016-10-19 EP disclosed
US-9358227-B2 Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 US disclosed
US-9358227-B2 Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 US disclosed
US-20150126550-A1 PHARMACEUTICAL USES OF 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2015-05-07 US disclosed
US-8901140-B2 6-amino quinazoline or 3-cyano quinoline derivatives, preparation methods and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-12-02 US disclosed
US-8901140-B2 6-amino quinazoline or 3-cyano quinoline derivatives, preparation methods and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-12-02 US disclosed
EP-2684877-A2 PHARMACEUTICALLY ACCEPTABLE SALT OF (E)-N-[4-[[3-CHLORO-4-(2-PYRIDYLMETHOXY)PHENYL]AMINO]-3-CYANO-7-ETHOXY-6-QUINOLYL]-3-[(2R)-1-METHYLPYRROLIDIN-2-YL]PROP-2-ENAMIDE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2014-01-15 EP disclosed
EP-2684877-A2 PHARMACEUTICALLY ACCEPTABLE SALT OF (E)-N-[4-[[3-CHLORO-4-(2-PYRIDYLMETHOXY)PHENYL]AMINO]-3-CYANO-7-ETHOXY-6-QUINOLYL]-3-[(2R)-1-METHYLPYRROLIDIN-2-YL]PROP-2-ENAMIDE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2014-01-15 EP disclosed
US-20130338190-A1 PHARMACEUTICALLY ACCEPTABLE SALT OF (E)-N-[4-[[3-CHLORO-4-(2-PYRIDYLMETHOXY)PHENYL]AMINO]-3-CYANO-7-ETHOXY-6-QUINOLYL]-3-[(2R)-1-METHYLPYRROLIDIN-2-YL]PROP-2-ENAMIDE, PREPARATION METHOD THEREOF, AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2013-12-19 US disclosed
EP-2479174-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-07-25 EP disclosed
EP-2479174-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-07-25 EP disclosed
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 US disclosed
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130338190-A1 PHARMACEUTICALLY ACCEPTABLE SALT OF (E)-N-[4-[[3-CHLORO-4-(2-PYRIDYLMETHOXY)PHENYL]AMINO]-3-CYANO-7-ETHOXY-6-QUINOLYL]-3-[(2R)-1-METHYLPYRROLIDIN-2-YL]PROP-2-ENAMIDE, PREPARATION METHOD THEREOF, AND MEDICAL USE THEREOF CSNK1A1L, CSNK1A1, CSNK1E STK4 275/4885STK3 432/4885EGFR 204/4885
US-20230303523-A1 METHOD FOR PREPARING PYROTINIB JAK2, SRMS, JAK1 STK4 1025/4885STK3 1563/4885EGFR 934/4885
US-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF CSNK1G3, CSNK1A1, CSNK1A1L STK4 179/4885STK3 41/4885EGFR 3299/4885
US-20150126550-A1 PHARMACEUTICAL USES OF 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES PYGL, CSNK1G3, G6PD STK4 169/4885STK3 32/4885EGFR 2980/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.