SCHEMBL4079783

SCHEMBL4079783

COc1ccc2ccc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PRKDC P78527 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR3A P46098 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
ATR Q13535 2/20 0.34
FDFT1 P37268 1/20 0.34
CASR P41180 1/20 0.34
SCARB1 Q8WTV0 1/20 0.34
KDM1A O60341 2/20 0.33
USP30 Q70CQ3 1/20 0.33
SRC P12931 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL4094652 0.98 RAB9A (0.37) CMKLR1RAB9ANPC1PRKDCRXRA
SCHEMBL5379711 0.91 PRKDC (0.40) CMKLR1RAB9ANPC1PRKDCATR
SCHEMBL5378043 0.89 RXRA (0.38) CMKLR1PRKDCRXRARXRBRXRG
SCHEMBL5372777 0.88 HPGD (0.40) USP30KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4088673 0.87 CMKLR1 (0.37) CMKLR1RXRARXRBRXRGSLC6A2
SCHEMBL4089123 0.86 KCNH2 (0.37) CMKLR1PRKDCRXRARXRBRXRG
SCHEMBL4083268 0.85 RXRA (0.37) CMKLR1RXRARXRBRXRGSLC6A4
SCHEMBL4080434 0.85 RXRA (0.37) CMKLR1RXRARXRBRXRGATR
SCHEMBL4080192 0.85 RXRA (0.39) CMKLR1RXRARXRBRXRGKCNH2
SCHEMBL5379537 0.85 PRKDC (0.43) PRKDCATRSRCLCKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 CMKLR1 1073/4885RAB9A 3047/4885NPC1 2971/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CMKLR1 1136/4885RAB9A 3208/4885NPC1 2941/4885

“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.