SCHEMBL16639078

SCHEMBL16639078

Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c(Br)csc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.65
PIK3CD O00329 15/20 0.65
MTOR P42345 5/20 0.61
PIK3R1 P27986 4/20 0.61
RICTOR Q6R327 1/20 0.45
RPTOR Q8N122 1/20 0.45
MAPKAP1 Q9BPZ7 1/20 0.45
MLST8 Q9BVC4 1/20 0.45
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL20725700 0.89 PIK3CA (0.63) PIK3CAPIK3CDMTORPIK3R1RICTOR
SCHEMBL17053410 0.89 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3R1
SCHEMBL16639103 0.86 PIK3CA (0.64) PIK3CAPIK3CDMTORPIK3R1PIK3CB
SCHEMBL17053422 0.85 PIK3CA (0.60) PIK3CAPIK3CDMTORPIK3R1RICTOR
SCHEMBL16639080 0.82 PIK3CD (0.76) PIK3CAPIK3CDMTORPIK3R1
SCHEMBL16639145 0.80 MTOR (0.61) PIK3CAPIK3CDMTORPIK3R1RICTOR
SCHEMBL16639069 0.79 PIK3CD (1.00) PIK3CAPIK3CDMTORPIK3R1PIK3CB
SCHEMBL20725680 0.79 PIK3CD (0.80) PIK3CAPIK3CD
SCHEMBL16639139 0.78 PIK3CA (0.62) PIK3CAPIK3CDMTORPIK3R1RICTOR
SCHEMBL17053417 0.78 PIK3CD (0.58) 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 PIK3CA 1/4885PIK3CD 2/4885MTOR 51/4885

“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.