SCHEMBL3589934

SCHEMBL3589934

Cn1nc2ccccc2c1C(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PTGER4 P35408 6/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
MGLL Q99685 1/20 0.37
PDE2A O00408 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
ATM Q13315 1/20 0.36
SLC9A1 P19634 1/20 0.36
KEAP1 Q14145 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL1563562 0.84 KDM5A (0.48) KDM5AKDM4CKDM5BPTGER4SMN1; SMN2
SCHEMBL17324739 0.84 KDM5A (0.42) KDM5AKDM4CKDM5BRAB9ANPC1
SCHEMBL2723759 0.82 LCK (0.41) KDM5AKDM4CKDM5BHPGDMGLL
Methane SCHEMBL27733031 0.82 KDM5A (0.47) KDM5AKDM4CKDM5BPTGER4SMN1; SMN2
SCHEMBL24405774 0.79 KDM5A (0.39) KDM5AKDM4CKDM5BPTGER4RAB9A
SCHEMBL17321410 0.79 KDM4E (0.40) KDM5AKDM4CKDM5BPTGER4SMN1; SMN2
SCHEMBL1562180 0.79 ALDH1A1 (0.49) KDM5AKDM4CKDM5BSMN1; SMN2HPGD
SCHEMBL14487048 0.79 BRD4 (0.43) KDM5AKDM4CKDM5BPTGER4RAB9A
SCHEMBL3598645 0.78 PTGER4 (0.44) PTGER4KDM4EMAPTATM
SCHEMBL23367117 0.78 KDM5A (0.41) KDM5AKDM4CKDM5BPTGER4RAB9A

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-8507528-B2 2-alkyl-indazole compounds for the treatment of certain cns-related disorders AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-08-13 US disclosed
CN-101558057-B 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF 2013-05-01 CN disclosed
EP-2099780-B1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS ACRAF (IT) 2013-01-09 EP disclosed
US-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-03-04 US disclosed
CN-101558057-A 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF (IT) 2009-10-14 CN disclosed
EP-2099780-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2009-09-16 EP disclosed
WO-2008061688-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2008-05-29 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 (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-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS CYP11B2, CYP1A2, INA KDM5A 3385/4885KDM4C 3652/4885KDM5B 3361/4885

“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.