SCHEMBL16639117

SCHEMBL16639117

Fc1ccc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
AR P10275 1/20 0.49
MAPT P10636 3/20 0.44
PIK3CA P42336 8/20 0.44
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL16639108 0.85 PIK3CD (0.49) PIK3CDARPIK3CAMTORPIK3CG
SCHEMBL17053417 0.84 PIK3CD (0.58) PIK3CDPIK3CAALDH1A1MAPK1
SCHEMBL16639139 0.82 PIK3CA (0.62) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL16639103 0.81 PIK3CA (0.64) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL16639091 0.80 PIK3CA (0.62) PIK3CDPIK3CAMTOR
SCHEMBL16639116 0.79 PIK3CD (0.61) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL17946855 0.79 PIK3CD (0.60) PIK3CDPIK3CA
SCHEMBL17053416 0.79 PIK3CD (0.47) PIK3CDNPC1RAB9AMAPTPIK3CA
SCHEMBL16639063 0.76 PIK3CD (0.79) PIK3CDPIK3CA
SCHEMBL17951188 0.75 PIK3CD (0.65) PIK3CDPIK3CACYP3A4

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 PIK3CD 2/4885NPC1 890/4885RAB9A 1073/4885

“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.