SCHEMBL3602908

SCHEMBL3602908

CN1Cc2ccccc2N1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.42
HSD17B3 P37058 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
PABPC1 P11940 1/20 0.41
BLM P54132 1/20 0.41
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPK1 P28482 1/20 0.38
SCN4A P35499 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
SCHEMBL27612650 0.79 P2RX4 (0.44) NOTUMHSD17B3MEN1KMT2AKDM4E
SCHEMBL27334529 0.77 ALDH1A1 (0.40) NOTUMHSD17B3MEN1KMT2AKDM4E
SCHEMBL3347797 0.73 PARP1 (0.31) TSHRLMNAMAPK1SCN4ASCN5A
SCHEMBL3670388 0.72 ADRA1D (0.41) HSD17B3MEN1KMT2AKDM4EMAPT
SCHEMBL14612528 0.70 ALDH1A1 (0.43) NOTUMHSD17B3MEN1KMT2AMAPT
SCHEMBL11485892 0.69 HSD17B3 (0.39) NOTUMHSD17B3MEN1KMT2AKDM4E
SCHEMBL6745162 0.69 NOTUM (0.55) NOTUMHSD17B3ALDH1A1LMNA
SCHEMBL27933787 0.67 ALDH1A1 (0.41) NOTUMHSD17B3MEN1KMT2AMAPT
SCHEMBL43169 0.67 NOTUM (0.68) NOTUMMEN1KMT2AMAPTALDH1A1
SCHEMBL29443491 0.67 NOTUM (0.68) NOTUMMEN1KMT2AMAPTALDH1A1

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 NOTUM 4228/4885HSD17B3 439/4885MEN1 999/4885

“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.