SCHEMBL16639076

SCHEMBL16639076

Oc1cccc(-c2nc(Cl)nc3c(Br)csc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 0.41
HSD17B2 P37059 7/20 0.41
PIK3CA P42336 3/20 0.38
PIK3CG P48736 4/20 0.37
PIK3CD O00329 2/20 0.37
PIK3C2B O00750 1/20 0.37
PDXK O00764 1/20 0.37
GAK O14976 1/20 0.37
MAP3K7 O43318 1/20 0.37
RIPK2 O43353 1/20 0.37
PIP5K1C O60331 1/20 0.37
STK16 O75716 1/20 0.37
PIK3C2G O75747 1/20 0.37
PRKD3 O94806 1/20 0.37
OXSR1 O95747 1/20 0.37
LATS1 O95835 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL17053426 0.85 KDM4E (0.40) ATP4AATP4B
SCHEMBL17053397 0.85 HSD17B1 (0.42) HSD17B1HSD17B2PIK3CAPIK3CGPIK3CD
SCHEMBL17053403 0.77 PIK3CA (0.50) PIK3CAPIK3CGPIK3CDMTOR
SCHEMBL16639091 0.75 PIK3CA (0.62) PIK3CAPIK3CDMTOR
SCHEMBL16639118 0.74 TXN (0.36) PRKD3CSNK1A1CSNK1DCSNK1G2ERBB4
SCHEMBL16639077 0.74 PRKCI (0.32) PIK3CAPIK3CD
SCHEMBL16639104 0.71 GAA (0.42) VCP
SCHEMBL17946342 0.71 CYP2A6 (0.38) PIK3CD
SCHEMBL17053418 0.71
SCHEMBL16639095 0.70 PIK3CA (0.37) PIK3CAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2860181-B1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USES THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2019-02-13 EP disclosed
US-9499561-B2 Fused pyrimidine compound, and preparation method, intermediate, composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2016-11-22 US disclosed
US-9499561-B2 Fused pyrimidine compound, and preparation method, intermediate, composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2016-11-22 US disclosed
US-20150246929-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND USES THEREOF SHANGHAI YUNYI HEALTHCARE AND TECHNOLOGY CO., LTD. (CN) 2015-09-03 US disclosed
US-20150246929-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND USES THEREOF SHANGHAI YUNYI HEALTHCARE AND TECHNOLOGY CO., LTD. (CN) 2015-09-03 US disclosed
EP-2860181-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USES THEREOF Shanghai Yingli Science and Technology Co., Ltd (CN) 2015-04-15 EP 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-20150246929-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HSD17B1 1195/4885HSD17B2 1429/4885PIK3CA 1/4885

“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.