SCHEMBL17490478

SCHEMBL17490478

COc1nc(N(C)CCN(C)C)c([N+](=O)[O-])cc1NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
POLB P06746 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 6/20 0.38
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.35
SLC9A1 P19634 1/20 0.35
PKM P14618 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.33
TXNRD1 Q16881 1/20 0.33

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
Hydrochloric Acid SCHEMBL18979043 0.99 ALDH1A1 (0.41) ALDH1A1POLBNPSR1SMN1; SMN2GALR2
SCHEMBL17490479 0.88 NPSR1 (0.40) ALDH1A1POLBNPSR1SMN1; SMN2GALR2
SCHEMBL29866463 0.87 NPSR1 (0.42) ALDH1A1POLBNPSR1SMN1; SMN2GALR2
SCHEMBL18978915 0.86 ALDH1A1 (0.40) ALDH1A1POLBNPSR1SMN1; SMN2GALR2
SCHEMBL18978911 0.80 KDM4E (0.38) ALDH1A1POLBNPSR1SMN1; SMN2GALR2
SCHEMBL18978910 0.80 KDM4E (0.38) ALDH1A1POLBNPSR1SMN1; SMN2GALR2
SCHEMBL10745494 0.79 POLB (0.49) ALDH1A1POLBNPSR1SMN1; SMN2GALR2
SCHEMBL30467879 0.79 EGFR (0.41)
SCHEMBL19100747 0.79 EGFR (0.41)
SCHEMBL17339112 0.79 SMN1; SMN2 (0.35) ALDH1A1NPSR1SMN1; SMN2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 US disclosed
CN-115836064-B Triazine derivative with EGFR (epidermal growth factor receptor) inhibition activity as well as preparation method and application thereof 上海和誉生物医药科技有限公司 2024-08-27 CN disclosed
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US disclosed
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US disclosed
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US disclosed
CN-112292378-B Indole derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-02-06 CN disclosed
CN-117440945-A Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-01-23 CN disclosed
EP-4257584-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-10-11 EP disclosed
EP-3492462-B1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2023-08-30 EP disclosed
EP-3492462-B1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2023-08-30 EP disclosed
EP-3181560-B1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO LTD (CN) 2020-11-25 EP disclosed
EP-3492462-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-06-05 EP disclosed
US-20190152954-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2019-05-23 US disclosed
US-10072002-B2 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2018-09-11 US disclosed
US-20170210739-A1 PYRIDINYLAMINOPYRIMIDINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2017-07-27 US disclosed
US-20170210739-A1 PYRIDINYLAMINOPYRIMIDINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2017-07-27 US disclosed
US-20170210739-A1 PYRIDINYLAMINOPYRIMIDINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2017-07-27 US disclosed
EP-3181560-A1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Shanghai Allist Pharmaceuticals, Inc. (CN) 2017-06-21 EP disclosed
EP-3181560-A1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Shanghai Allist Pharmaceuticals, Inc. (CN) 2017-06-21 EP disclosed
WO-2016015453-A1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 上海艾力斯医药科技有限公司 2016-02-04 WO 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-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR ALDH1A1 1967/4885POLB 1125/4885NPSR1 4246/4885
US-20170210739-A1 PYRIDINYLAMINOPYRIMIDINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF EGFR, ERBB2, ERBB4 ALDH1A1 961/4885POLB 1842/4885NPSR1 1035/4885
US-20190152954-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY LCK, WEE1, JAK1 ALDH1A1 3601/4885POLB 2725/4885NPSR1 1406/4885
US-10072002-B2 Pyridinylaminopyrimidine derivatives, preparation process and use thereof EGFR, ERBB2, ERBB4 ALDH1A1 961/4885POLB 1842/4885NPSR1 1035/4885

“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.