SCHEMBL4079825

SCHEMBL4079825

c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(-c3ccc4c(c3)c(-c3ccc5cc(OCCN6CCCC6)ccc5c3)nn4C3CCCCO3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
KDR P35968 1/20 0.35
DRD1 P21728 1/20 0.34
LTA4H P09960 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
XDH P47989 2/20 0.34
PTPN1 P18031 2/20 0.34
SIGMAR1 Q99720 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
SCHEMBL4080401 0.85 HRH3 (0.36) HRH3KDRADORA2AADORA1PTPN1
SCHEMBL5373368 0.81 DRD1 (0.34) DRD1
SCHEMBL5802425 0.80 RXRA (0.35) DRD1
SCHEMBL5651015 0.80 DRD1 (0.33) DRD1
SCHEMBL5374181 0.80 DRD1 (0.33) DRD1
SCHEMBL4605947 0.80 CMKLR1 (0.34) DRD1
SCHEMBL5377590 0.80 ALDH1A1 (0.34) DRD1ADORA2AADORA1KMT2A
SCHEMBL4091084 0.80 TBK1 (0.41) HRH3
SCHEMBL4083874 0.79 SCN7A (0.42) HRH3
SCHEMBL5377905 0.79 DRD1 (0.34) DRD1

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 HRH3 2504/4885KDR 319/4885DRD1 4276/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 HRH3 2769/4885KDR 394/4885DRD1 3980/4885

“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.