SCHEMBL16639083

SCHEMBL16639083

Cc1sc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2c1CN1CCN(C(=O)[C@@H](C)O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3CA P42336 12/20 1.00
PIK3CB P42338 2/20 0.60
MTOR P42345 2/20 0.60
PIK3CG P48736 2/20 0.60
PIK3C2A O00443 1/20 0.60
PIK3C2B O00750 1/20 0.60
STK10 O94804 1/20 0.60
PAK4 O96013 1/20 0.60
ABL1 P00519 1/20 0.60
EGFR P00533 1/20 0.60
FGR P09769 1/20 0.60
FER P16591 1/20 0.60
PRKCA P17252 1/20 0.60
JAK1 P23458 1/20 0.60
TEC P42680 1/20 0.60
SYK P43405 1/20 0.60
PRKDC P78527 1/20 0.60
MAP3K9 P80192 1/20 0.60
BTK Q06187 1/20 0.60

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
SCHEMBL16639090 1.00 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL20725691 0.94 PIK3CD (0.89) PIK3CDPIK3CA
SCHEMBL17053402 0.93 PIK3CD (0.86) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL17053385 0.93 PIK3CD (0.86) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL17994085 0.89 PIK3CD (0.80) PIK3CDPIK3CA
SCHEMBL16639140 0.89 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20725682 0.89 PIK3CD (0.88) PIK3CDPIK3CA
SCHEMBL16639084 0.86 PIK3CD (0.77) PIK3CDPIK3CA
SCHEMBL16639114 0.85 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL16639094 0.85 PIK3CD (1.00) PIK3CDPIK3CA

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 1/4885PIK3CB 3/4885

“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.