SCHEMBL4568301

SCHEMBL4568301

Cc1cc2cc(-c3cccnc3)[nH]c2cc1C1CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.53
CYP2A6 P11509 1/20 0.43
VCP P55072 3/20 0.40
NPY5R Q15761 4/20 0.40
HPGDS O60760 1/20 0.39
KMT2A Q03164 1/20 0.39
PKN2 Q16513 1/20 0.38
CSF1R P07333 1/20 0.37
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL4568286 0.85 CYP19A1 (0.53) CYP19A1CYP2A6VCPNPY5RHPGDS
SCHEMBL4568300 0.84 NPC1 (0.47) CYP19A1VCPNPY5RKMT2A
SCHEMBL1606072 0.84 CYP19A1 (0.65) CYP19A1CYP2A6NPY5RKMT2ACLK2
SCHEMBL4568294 0.79 CYP19A1 (0.58) CYP19A1CYP2A6VCPNPY5RKMT2A
SCHEMBL4568283 0.79 CYP19A1 (0.58) CYP19A1CYP2A6NPY5RKMT2ACLK2
SCHEMBL4568281 0.78 CYP19A1 (0.61) CYP19A1CYP2A6VCPNPY5RHPGDS
SCHEMBL4568280 0.77 CYP19A1 (0.56) CYP19A1CYP2A6NPY5RKMT2ACYP11B1
SCHEMBL4568273 0.76 CYP19A1 (0.58) CYP19A1CYP2A6NPY5RKMT2ACLK2
SCHEMBL4568302 0.74 CDK5 (0.36) CYP2A6NPY5RKMT2A
SCHEMBL7946248 0.74 CYP19A1 (0.68) CYP19A1CYP2A6NPY5RKMT2ACLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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 (1 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CYP19A1 1262/4885CYP2A6 1025/4885VCP 4545/4885

“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.