SCHEMBL2520698

SCHEMBL2520698

Cc1cc(C(=O)Nc2c[c]ccc2)nn1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 2/20 0.54
BAZ2B Q9UIF8 1/20 0.52
ROCK1 Q13464 1/20 0.49
NPC1 O15118 3/20 0.49
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
NR2E1 Q9Y466 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RORA P35398 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPY5R Q15761 2/20 0.43

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
SCHEMBL7860721 0.83 RAB9A (0.73) RAB9AKMT2AKDM4EGAABAZ2B
SCHEMBL2517050 0.79 KMT2A (0.48) KMT2AGAAAURKAMEN1MAPT
SCHEMBL2518374 0.76 IDO1 (0.44) RAB9AKMT2ANPC1AURKARPS6KB1
SCHEMBL2517122 0.76 SMN1; SMN2 (0.63) RAB9AKMT2AKDM4EGAANPC1
SCHEMBL2515326 0.75 NAMPT (0.42) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL9133124 0.73 BAZ2B (0.59) RAB9AKMT2AKDM4EGAABAZ2B
SCHEMBL2514318 0.73 SMN1; SMN2 (0.63) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL2520214 0.73 ALDH1A1 (0.55) KMT2AROCK1MEN1MAPTALDH1A1
SCHEMBL28904532 0.72 GRM4 (0.57) RAB9AKDM4ENPC1MAPTSMN1; SMN2
SCHEMBL27690747 0.71 GAA (0.79) RAB9AKMT2AKDM4EGAABAZ2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US 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 (4 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RAB9A 855/4885KMT2A 1144/4885KDM4E 961/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RAB9A 855/4885KMT2A 1144/4885KDM4E 961/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RAB9A 855/4885KMT2A 1144/4885KDM4E 961/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RAB9A 724/4885KMT2A 1189/4885KDM4E 1062/4885

“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.