SCHEMBL2942804

SCHEMBL2942804

Nc1cc(C(F)(F)F)c2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
TSHR P16473 3/20 0.44
TP53 P04637 2/20 0.44
HSP90AA1 P07900 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSP90AB1 P08238 1/20 0.44
CASP1 P29466 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
PSMD14 O00487 2/20 0.41
COPS5 Q92905 2/20 0.41

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
SCHEMBL22270813 0.82 SLC40A1 (0.48) KDM4ETSHRTP53HSP90AA1MAPT
SCHEMBL29862565 0.79 PSMD14 (0.41) KDM4ETSHRTP53HSP90AA1MAPT
SCHEMBL13301166 0.79 PSMD14 (0.62) KDM4ETSHRTP53HSP90AA1MAPT
SCHEMBL20392639 0.79 PSMD14 (0.41) KDM4ETSHRTP53HSP90AA1MAPT
SCHEMBL24654874 0.77 PTPN6 (0.43) KDM4ETSHRTP53HSP90AA1MAPT
SCHEMBL21893494 0.77 PSMD14 (0.46) KDM4ETSHRTP53HSP90AA1MAPT
SCHEMBL15652298 0.77 KDM4E (0.48) KDM4ETSHRTP53HSP90AA1MAPT
SCHEMBL13977909 0.77 PSMD14 (0.62) KDM4ETSHRTP53HSP90AA1MAPT
SCHEMBL3051052 0.76 PSMD14 (0.41) KDM4ETSHRNPC1RAB9APSMD14
SCHEMBL7548538 0.76 KDM4E (0.52) KDM4ETSHRTP53HSP90AA1MAPT

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-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-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 KDM4E 1822/4885TSHR 4632/4885TP53 162/4885

“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.