SCHEMBL16514857

SCHEMBL16514857

CN(C)CCOc1cccc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.42
▸ EGFR P00533 3/20 0.42
▸ MYLK4 Q86YV6 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ SRC P12931 1/20 0.41
▸ WEE1 P30291 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ PLK1 P53350 1/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ PTK2 Q05397 2/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ ASIC3 Q9UHC3 1/20 0.39

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
SCHEMBL29848188 1.00 ACVR1 (0.42) ACVR1EGFRMYLK4CLK4STK17A
SCHEMBL16823073 0.92 CDK4 (0.43) ACVR1EGFRMYLK4CLK4STK17A
SCHEMBL16514757 0.91 MAPK10 (0.47) EGFRSRCJAK2BRD4CSF1R
SCHEMBL16514044 0.90 JAK2 (0.51) ACVR1EGFRJAK2BRD4CDK4
SCHEMBL29847745 0.90 JAK2 (0.51) ACVR1EGFRJAK2BRD4CDK4
SCHEMBL16514537 0.89 MYLK4 (0.44) ACVR1EGFRMYLK4CLK4STK17A
SCHEMBL16514675 0.89 ACVR1 (0.45) ACVR1EGFRMYLK4CLK4STK17A
SCHEMBL31679045 0.89 ACVR1 (0.45) ACVR1EGFRMYLK4CLK4STK17A
SCHEMBL29847614 0.89 MYLK4 (0.44) ACVR1EGFRMYLK4CLK4STK17A
SCHEMBL16513501 0.88 CDK4 (0.40) ACVR1EGFRMYLK4CLK4STK17A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN claimed
US-9849139-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-12-26 — — US claimed
US-20170196881-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2017-07-13 — — US claimed
US-9550770-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-01-24 — — US claimed
EP-3035936-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NeuPharma, Inc. (US) 2016-06-29 — — EP claimed
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-25 — — US claimed
WO-2015027222-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2015-02-26 — — WO claimed
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC (US) 2026-04-16 — — US disclosed
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC (US) 2025-09-02 — — US disclosed
US-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC 2024-06-20 — — US disclosed
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2024-01-09 — — US disclosed
US-20220354864-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2022-11-10 — — US disclosed
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
EP-3508204-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2019-07-10 — — EP disclosed
EP-3035936-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2019-03-13 — — EP disclosed
US-9849139-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-12-26 — — US disclosed
US-20170196881-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2017-07-13 — — US disclosed
US-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-02-23 — — US disclosed
US-9550770-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-01-24 — — US disclosed
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-25 — — 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 (8 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-20170196881-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 ACVR1 4466/4885EGFR 518/4885MYLK4 438/4885
US-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 ACVR1 4466/4885EGFR 518/4885MYLK4 438/4885
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 ACVR1 4466/4885EGFR 518/4885MYLK4 438/4885
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 ACVR1 2352/4885EGFR 272/4885MYLK4 787/4885
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 ACVR1 4466/4885EGFR 518/4885MYLK4 438/4885
US-20220354864-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 ACVR1 4466/4885EGFR 518/4885MYLK4 438/4885
US-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CDK2, MAP3K6, MAP3K2 ACVR1 1787/4885EGFR 555/4885MYLK4 1007/4885
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY BRAF, TTK, MAP4K2 ACVR1 3722/4885EGFR 290/4885MYLK4 633/4885

“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.

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