SCHEMBL963746

SCHEMBL963746

CCCCCc1ccc2nc(N)nn2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
LPL P06858 4/20 0.39
LIPG Q9Y5X9 4/20 0.39
SPNS2 Q8IVW8 2/20 0.39
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL25068511 0.82 PIK3CG (0.42) RAB9AKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3261544 0.79 PIK3CG (0.40) HTR2ARAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3268614 0.78 PIK3CG (0.41) HTR2ALPLLIPGPIK3CDPIK3CG
SCHEMBL22307673 0.76 PIK3CG (0.39) PIK3CDPIK3CAPIK3CBPIK3CGTLR8
SCHEMBL3262290 0.73 THRB (0.37) SMN1; SMN2ALDH1A1MEN1GAAMAPT
SCHEMBL15254727 0.73 KCNH2 (0.41) SMN1; SMN2MAPTTP53TLR8
SCHEMBL3267416 0.73 KCNH2 (0.41) SMN1; SMN2MAPTTP53TLR8
SCHEMBL24656059 0.69 PIK3CG (0.43) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL20956295 0.68 NOS2 (0.41) RAB9ASMN1; SMN2TP53NPC1TSHR
SCHEMBL3637622 0.67 NUDT1 (0.45) KDM4EHSD17B10TBXAS1TLR8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP disclosed
EP-2057158-B1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LTD (GB) 2015-08-12 EP disclosed
US-8883820-B2 Triazole derivatives as kinase inhibitors CELLZOME LTD. (GB) 2014-11-11 US disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-09-09 US disclosed
EP-2222674-A1 AMINO TRIAZOLES AS PI3K INHIBITORS Cellzome Limited (GB) 2010-09-01 EP disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 WO disclosed
EP-2057158-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2009-05-13 EP disclosed
WO-2008025821-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO 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 (2 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-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS ITK, PIK3C3, TXK HTR2A 4040/4885RAB9A 2362/4885KDM4E 1804/4885
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS PIK3C3, PIK3R3, PIK3R5 HTR2A 3903/4885RAB9A 1855/4885KDM4E 1968/4885

“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.