SCHEMBL14699307

SCHEMBL14699307

NC(=O)c1[c]cn(Cc2csc(-c3ccccc3)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
DRD2 P14416 3/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
KLKB1 P03952 4/20 0.47
KLK1 P06870 3/20 0.47
AKR1B1 P15121 1/20 0.47
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
ACKR3 P25106 1/20 0.43
RAB9A P51151 2/20 0.42
PRNP P04156 1/20 0.42
MAPT P10636 1/20 0.42
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL14699437 0.84 KDM4E (0.51) KDM4EKLKB1KLK1RAB9AMAPT
SCHEMBL16163410 0.79 NOTUM (0.47) MEN1KMT2ARAB9AMAPTHPGD
SCHEMBL1718132 0.78 PARP1 (0.48) KMT2AKLKB1HPGD
SCHEMBL14699358 0.76 DRD2 (0.37) MEN1KMT2ADRD2HTR2AHRH1
SCHEMBL5717705 0.71 KDM4E (0.71) MEN1KMT2AKDM4ERAB9APRNP
SCHEMBL14699373 0.71 ADORA2A (0.47) MEN1KMT2AKDM4E
SCHEMBL14699135 0.71 PRKCI (0.46) KLKB1KLK1
SCHEMBL14699304 0.71 KDM4E (0.45) KDM4EKLKB1RAB9AMAPTHPGD
SCHEMBL17503953 0.71 KLKB1 (0.68) MEN1KMT2AKDM4EDRD2DRD4
SCHEMBL2882179 0.70 BRD4 (0.32)

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-2742040-B1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
US-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-10-16 US disclosed
EP-2742040-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-18 EP disclosed
WO-2013024011-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 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-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CYP3A43, INSR, CYP2C19 MEN1 467/4885KMT2A 3880/4885KDM4E 3432/4885

“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.