SCHEMBL13301192

SCHEMBL13301192

CN(C)c1nc(Nc2ccc3ncccc3c2)nc2[nH]cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
GRM4 Q14833 1/20 0.45
TERT O14746 3/20 0.42
IGF1R P08069 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
AURKA O14965 3/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
PTK2 Q05397 2/20 0.40
EGFR P00533 2/20 0.39

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
SCHEMBL13301188 0.89 TERT (0.46) PIK3CDPIK3CAPIK3CBPIK3CGGRM4
SCHEMBL13301185 0.88 TERT (0.51) PIK3CDPIK3CAPIK3CBPIK3CGGRM4
SCHEMBL13301180 0.83 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGGRM4
SCHEMBL13301176 0.83 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGGRM4
SCHEMBL14110221 0.82 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGGRM4
SCHEMBL17888756 0.82 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGGRM4
SCHEMBL13301187 0.80 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGGRM4
SCHEMBL16549189 0.79 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGGRM4
SCHEMBL17888771 0.77 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGGRM4
SCHEMBL13301171 0.77 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGGRM4

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-2149574-B1 2, 6-DINITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVES, THE PREPARATION AND USES THEREOF ZHEJIANG MED XINCHANG PHARM (CN) 2015-12-02 EP disclosed
US-8580763-B2 2, 6-dinitrogen-containing substituted purine derivatives, the preparation and uses thereof ZHANGGUI WU (CN) 2013-11-12 US disclosed
US-8580763-B2 2, 6-dinitrogen-containing substituted purine derivatives, the preparation and uses thereof ZHANGGUI WU (CN) 2013-11-12 US disclosed
US-20100144663-A1 2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof ZHE JIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2010-06-10 US disclosed
US-20100144663-A1 2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof ZHE JIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2010-06-10 US disclosed
EP-2149574-A1 2, 6-DINITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVES, THE PREPARATION AND USES THEREOF ZheJiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2010-02-03 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-20100144663-A1 2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof PNP, NUDT1, DPYD PIK3CD 3138/4885PIK3CA 2073/4885PIK3CB 2764/4885

“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.