SCHEMBL16205252

SCHEMBL16205252

COc1ccnc(Nc2cc(C)nc(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.47
CDK2 P24941 3/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 3/20 0.43
EGFR P00533 2/20 0.43
JAK2 O60674 1/20 0.43
PTK2B Q14289 1/20 0.43
KDR P35968 3/20 0.43
CDK9 P50750 2/20 0.41
CCNK O75909 1/20 0.41
CCNA2 P20248 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
IGF1R P08069 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL16205293 0.85 KDR (0.40) SYKCDK2PIK3CAPIK3CBPIK3CG
SCHEMBL16198331 0.84 KDR (0.47) SYKCDK2PIK3CAPIK3CBPIK3CG
SCHEMBL16205290 0.83 MAPK3 (0.45) SYKCDK2PIK3CAPIK3CBPIK3CG
SCHEMBL16198068 0.77 SYK (0.52) SYK
SCHEMBL16205292 0.77 KDR (0.42) SYKCDK2PIK3CAPIK3CBPIK3CG
SCHEMBL2021695 0.75 SYK (0.56) SYKCDK2PIK3CAPIK3CBPIK3CG
SCHEMBL16820264 0.75 SYK (0.56) SYKCDK2EGFRKDRNPC1
SCHEMBL14843676 0.74 NPC1 (0.51) SYKCDK2PIK3CAPIK3CBPIK3CG
SCHEMBL2280151 0.74 AURKA (0.59) SYKCDK2EGFRJAK2KDR
SCHEMBL3048431 0.74 KDR (0.47) SYKCDK2PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 US disclosed
WO-2014176210-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-30 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 (1 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-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK SYK 1/4885CDK2 533/4885PIK3CA 666/4885

“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.