SCHEMBL17490482

SCHEMBL17490482

Nc1ncc(-c2nc(Cl)ncc2Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
RPS6KA5 O75582 2/20 0.41
BTK Q06187 1/20 0.38
CSNK1A1 P48729 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
MAP4K4 O95819 2/20 0.35
BCL6 P41182 1/20 0.35
DHFR P00374 1/20 0.35
ADORA1 P30542 3/20 0.34
GRM4 Q14833 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CDC7 O00311 1/20 0.34
PIK3CA P42336 2/20 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
SCHEMBL30037575 0.80 BTK (0.38) KDM4EALDH1A1SMN1; SMN2RPS6KA5BTK
SCHEMBL25552093 0.80 BTK (0.38) KDM4EALDH1A1SMN1; SMN2RPS6KA5BTK
SCHEMBL17490425 0.76 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2RPS6KA5BTK
SCHEMBL25820968 0.73 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2RPS6KA5BTK
SCHEMBL30919628 0.73 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2RPS6KA5BTK
SCHEMBL30444276 0.73 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2RPS6KA5BTK
SCHEMBL29174702 0.72 RPS6KA5 (0.43) KDM4ERPS6KA5BTK
SCHEMBL30919687 0.71 BTK (0.40) KDM4EALDH1A1SMN1; SMN2RPS6KA5BTK
SCHEMBL30919655 0.71 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2RPS6KA5BTK
SCHEMBL22544661 0.71 BTK (0.43) ALDH1A1SMN1; SMN2POLBRPS6KA5BTK

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-RE48687-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2021-08-17 US disclosed
US-RE48687-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2021-08-17 US disclosed
EP-3181560-B1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO LTD (CN) 2020-11-25 EP disclosed
EP-3181560-B1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO LTD (CN) 2020-11-25 EP 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
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 (2 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-20170210739-A1 PYRIDINYLAMINOPYRIMIDINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF EGFR, ERBB2, ERBB4 KDM4E 1393/4885ALDH1A1 961/4885SMN1; SMN2 3351/4885
US-10072002-B2 Pyridinylaminopyrimidine derivatives, preparation process and use thereof EGFR, ERBB2, ERBB4 KDM4E 1393/4885ALDH1A1 961/4885SMN1; SMN2 3351/4885

“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.