SCHEMBL17490465

SCHEMBL17490465

Clc1ncc(Cl)c(-c2c[nH]c3ncccc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 2/20 1.00
CDK9 P50750 5/20 0.56
CDK2 P24941 4/20 0.56
CCNT1 O60563 2/20 0.56
CCNK O75909 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK12 Q9NYV4 1/20 0.56
CDC7 O00311 5/20 0.50
CDK5 Q00535 4/20 0.50
DYRK1A Q13627 4/20 0.50
MAP4K4 O95819 4/20 0.50
PIM1 P11309 4/20 0.50
PRKACA P17612 4/20 0.50
GSK3B P49841 4/20 0.50
CLK4 Q9HAZ1 4/20 0.50
DAPK3 O43293 3/20 0.50
CLK2 P49760 3/20 0.50
CDK7 P50613 3/20 0.50
PRKX P51817 3/20 0.50
HIPK2 Q9H2X6 3/20 0.50

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
SCHEMBL31006772 1.00 RPS6KA5 (1.00) RPS6KA5CDK9CDK2CCNT1CCNK
SCHEMBL24710609 0.86 RPS6KA5 (0.76) RPS6KA5CDK9CDK2CCNT1CCNK
SCHEMBL517461 0.79 RPS6KA5 (0.66) RPS6KA5CDK9CDK2CCNT1CCNK
SCHEMBL29613520 0.79 RPS6KA5 (0.66) RPS6KA5CDK9CDK2CCNT1CCNK
SCHEMBL22510105 0.79 RPS6KA5 (0.65) RPS6KA5CDK9CDK2CDC7CDK5
SCHEMBL31006792 0.79 RPS6KA5 (0.65) RPS6KA5CDK9CDK2CCNT1CCNK
SCHEMBL13008012 0.77 CDK9 (0.69) RPS6KA5CDK9CDK2CCNT1CDC7
SCHEMBL28982956 0.76 RPS6KA5 (0.61) RPS6KA5CDK9CDK2CCNT1CCNK
SCHEMBL29174690 0.76 RPS6KA5 (0.61) RPS6KA5CDK9CDK2CCNT1CCNK
SCHEMBL30725493 0.76 RPS6KA5 (0.61) RPS6KA5CDK9CDK2CCNT1CCNK

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 14 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
WO-2023143482-A1 2-AMINOPYRIMIDINE COMPOUND OR SALT, PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-08-03 WO 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
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 RPS6KA5 136/4885CDK9 155/4885CDK2 33/4885
US-10072002-B2 Pyridinylaminopyrimidine derivatives, preparation process and use thereof EGFR, ERBB2, ERBB4 RPS6KA5 136/4885CDK9 155/4885CDK2 33/4885

“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.