SCHEMBL16639122

SCHEMBL16639122

Cc1sc2c(-c3cccc4[nH]ncc34)nc(N3CCOCC3)nc2c1CN1CCN(S(C)(=O)=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 1.00
PIK3CA P42336 15/20 1.00
PIK3R1 P27986 5/20 0.58
PIK3CB P42338 3/20 0.58
KCNH2 Q12809 2/20 0.58
PIK3C2A O00443 1/20 0.58
PLK4 O00444 1/20 0.58
PIK3R2 O00459 1/20 0.58
PIK3C2B O00750 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58
DAPK3 O43293 1/20 0.58
STK16 O75716 1/20 0.58
PIK3C2G O75747 1/20 0.58
NTRK1 P04629 1/20 0.58
NQO2 P16083 1/20 0.58
CSNK2A2 P19784 1/20 0.58
JAK1 P23458 1/20 0.58
TYK2 P29597 1/20 0.58
AKT1 P31749 1/20 0.58

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
SCHEMBL17057552 0.92 PIK3CD (0.84) PIK3CDPIK3CAPIK3R1PIK3CBKCNH2
SCHEMBL16639065 0.85 PIK3CD (1.00) PIK3CDPIK3CAPIK3R1PIK3CBKCNH2
SCHEMBL18033804 0.83 PIK3CA (0.78) PIK3CDPIK3CAPIK3R1PIK3CBKCNH2
SCHEMBL16639124 0.81 PIK3CD (0.67) PIK3CDPIK3CA
SCHEMBL17951454 0.78 PIK3CD (0.76) PIK3CDPIK3CAMTOR
SCHEMBL17951249 0.77 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL11980001 0.77 PIK3CA (0.63) PIK3CDPIK3CAPIK3R1PIK3CBKCNH2
SCHEMBL18193230 0.77 PIK3CA (0.66) PIK3CDPIK3CAPIK3R1PIK3CBKCNH2
SCHEMBL189894 0.76 PIK3CA (0.73) PIK3CDPIK3CAPIK3R1PIK3CBKCNH2
SCHEMBL17053420 0.76 PIK3CD (0.61) 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 4 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-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 1/4885PIK3R1 32/4885

“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.