SCHEMBL17490367

SCHEMBL17490367

Cn1cc(-c2nc(Cl)ncc2Cl)c2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.50
GSK3B P49841 8/20 0.47
JAK2 O60674 2/20 0.47
CDK5 Q00535 2/20 0.47
AURKA O14965 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL30957637 0.90 PDK1 (0.50) PDK1GSK3BJAK2CDK5AURKA
SCHEMBL17490480 0.90 PDK1 (0.50) PDK1GSK3BJAK2CDK5AURKA
SCHEMBL17490483 0.90 PDK1 (0.42) PDK1GSK3BJAK2CDK5AURKA
SCHEMBL30957473 0.85 PDK1 (0.47) PDK1GSK3BJAK2CDK5AURKA
SCHEMBL24900433 0.85 PDK1 (0.47) PDK1GSK3BJAK2CDK5AURKA
SCHEMBL17490382 0.84 RPS6KA5 (0.36) PDK1GSK3BJAK2CDK5AURKA
SCHEMBL29994241 0.81 CDK5 (0.53) PDK1GSK3BCDK5ALDH1A1KDM4E
SCHEMBL517423 0.81 CDK5 (0.53) PDK1GSK3BCDK5ALDH1A1KDM4E
SCHEMBL30957561 0.80 PDK1 (0.42) PDK1GSK3BJAK2CDK5AURKA
SCHEMBL24900483 0.80 PDK1 (0.42) PDK1GSK3BJAK2CDK5AURKA

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
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 PDK1 571/4885GSK3B 1952/4885JAK2 56/4885
US-10072002-B2 Pyridinylaminopyrimidine derivatives, preparation process and use thereof EGFR, ERBB2, ERBB4 PDK1 571/4885GSK3B 1952/4885JAK2 56/4885

“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.