SCHEMBL16639064

SCHEMBL16639064

CS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc(N)nc4)nc(N4CCOCC4)nc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 1.00
PIK3CA P42336 13/20 1.00
MTOR P42345 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55

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
SCHEMBL17053371 0.92 PIK3CD (0.85) PIK3CDPIK3CA
SCHEMBL16639101 0.92 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL16639067 0.89 PIK3CD (0.80) PIK3CDPIK3CA
SCHEMBL16639066 0.87 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL16639063 0.86 PIK3CD (0.79) PIK3CDPIK3CA
SCHEMBL16639112 0.86 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17053370 0.85 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16639075 0.84 PIK3CD (0.75) PIK3CDPIK3CA
SCHEMBL17053374 0.84 PIK3CD (0.85) PIK3CDPIK3CA
SCHEMBL16639069 0.84 PIK3CD (1.00) PIK3CDPIK3CAMTORPIK3CBPIK3CG

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 2/4885PIK3CA 1/4885MTOR 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.