SCHEMBL4080214

SCHEMBL4080214

CC(Oc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)ccc2c1)C1CN(C)CCN1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
CMKLR1 Q99788 2/20 0.35
KDM1A O60341 7/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PDE9A O76083 3/20 0.31
KDM5A P29375 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
KIT P10721 1/20 0.31
ATR Q13535 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
FLT3 P36888 1/20 0.30
SYK P43405 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL4089146 0.91 CMKLR1 (0.37) SCN9ACMKLR1PTGDR2PDE9AKDM5A
SCHEMBL4094452 0.91 CMKLR1 (0.37) SCN9ACMKLR1PTGDR2PDE9ARXRA
SCHEMBL4183229 0.86 CMKLR1 (0.36) CMKLR1PTGDR2PDE9ARXRARXRB
SCHEMBL4088673 0.83 CMKLR1 (0.37) CMKLR1PTGDR2RXRARXRBRXRG
SCHEMBL5381479 0.82 CMKLR1 (0.34) CMKLR1PTGDR2PDE9AFLT3SYK
SCHEMBL4094652 0.82 RAB9A (0.37) CMKLR1KDM1ARXRARXRBRXRG
SCHEMBL4089935 0.81 CMKLR1 (0.40) CMKLR1PTGDR2RXRARXRBRXRG
SCHEMBL4080211 0.81 SLC6A2 (0.36) CMKLR1KDM1AHRH3
SCHEMBL4079783 0.80 CMKLR1 (0.36) CMKLR1KDM1ARXRARXRBRXRG
SCHEMBL4082983 0.78 SLC6A2 (0.38) CMKLR1KDM1ARXRARXRBRXRG

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 SCN9A 2691/4885CMKLR1 1073/4885KDM1A 3862/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 SCN9A 2716/4885CMKLR1 1136/4885KDM1A 3917/4885

“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.