SCHEMBL4046304

SCHEMBL4046304

CCN1CCC[C@H]1COc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.40
SLC6A4 P31645 2/20 0.37
CMKLR1 Q99788 1/20 0.36
CHEK1 O14757 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL4085390 1.00 HRH3 (0.40) HRH3SLC6A4CMKLR1CHEK1HRH2
SCHEMBL3950058 1.00 HRH3 (0.40) HRH3SLC6A4CMKLR1CHEK1HRH2
SCHEMBL4085007 1.00 HRH3 (0.40) HRH3SLC6A4CMKLR1CHEK1HRH2
SCHEMBL4094449 0.91 CHRNB1 (0.43)
SCHEMBL4186038 0.91 CHRNB1 (0.43)
SCHEMBL4084896 0.91 CHRNB1 (0.43)
SCHEMBL4089143 0.89 CHRNB1 (0.41) SLC6A4
SCHEMBL4079746 0.88 MCHR1 (0.37) HRH3
SCHEMBL4079745 0.88 MCHR1 (0.37) HRH3
SCHEMBL4080211 0.86 SLC6A2 (0.36) HRH3SLC6A4CMKLR1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791831-A4 METHODS OF TREATING DISEASES AND DISORDERS BY TARGETING MULTIPLE KINASES SIGNAL PHARM LLC (US) 2009-07-08 EP disclosed
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-1791831-A2 METHODS OF TREATING DISEASES AND DISORDERS BY TARGETING MULTIPLE KINASES Signal Pharmaceuticals LLC (US) 2007-06-06 EP 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
WO-2005051308-A2 METHODS OF TREATING DISEASES AND DISORDERS BY TARGETING MULTIPLE KINASES SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO disclosed
US-20050107386-A1 Methods of treating diseases and disorders by targeting multiple kinases NARLA RAMA KRISHNA (US) 2005-05-19 US 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 (3 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-20050107386-A1 Methods of treating diseases and disorders by targeting multiple kinases MAP3K20, MAP3K2, MAP3K1 HRH3 2868/4885SLC6A4 4637/4885CMKLR1 3142/4885
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 HRH3 2504/4885SLC6A4 2787/4885CMKLR1 1073/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 HRH3 2769/4885SLC6A4 2832/4885CMKLR1 1136/4885

“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.