SCHEMBL4093281

SCHEMBL4093281

Cn1cncc1COc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 2/20 0.38
PGGT1B P53609 3/20 0.35
KDM1A O60341 4/20 0.35
GPR119 Q8TDV5 1/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
ATR Q13535 2/20 0.34
ALOX5AP P20292 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
GLP1R P43220 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
SCHEMBL4088620 0.84 CYP4F2 (0.42) CMKLR1KDM1ACYP4F2CYP4A11ALOX5AP
SCHEMBL4094652 0.83 RAB9A (0.37) CMKLR1KDM1AATRRXRARXRB
SCHEMBL4047351 0.83 CYP4F2 (0.40) CMKLR1KDM1ACYP4F2CYP4A11ALOX5AP
SCHEMBL4082983 0.83 SLC6A2 (0.38) CMKLR1KDM1ACYP4F2CYP4A11ATR
SCHEMBL4094449 0.83 CHRNB1 (0.43)
SCHEMBL4186038 0.83 CHRNB1 (0.43)
SCHEMBL4089143 0.83 CHRNB1 (0.41) GPR119
SCHEMBL4083905 0.83 HRH3 (0.44) CMKLR1ATR
SCHEMBL4084896 0.83 CHRNB1 (0.43)
SCHEMBL4089935 0.82 CMKLR1 (0.40) CMKLR1ATRRXRARXRBRXRG

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 1073/4885PGGT1B 4686/4885KDM1A 3862/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CMKLR1 1136/4885PGGT1B 4745/4885KDM1A 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.