SCHEMBL4568281

SCHEMBL4568281

c1cncc(-c2cc3ccc(C4CC4)cc3[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.61
VCP P55072 1/20 0.42
HPGDS O60760 1/20 0.42
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MMP9 P14780 1/20 0.41
PKN2 Q16513 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
FGFR1 P11362 1/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
PPARA Q07869 1/20 0.39
NPY5R Q15761 1/20 0.39
CYP2A6 P11509 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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 0.78 CYP19A1 (0.53) CYP19A1VCPHPGDSPKN2CLK2
SCHEMBL4568301 0.78 CYP19A1 (0.53) CYP19A1VCPHPGDSPKN2CLK2
SCHEMBL2789205 0.77 CYP19A1 (0.68) CYP19A1CDK5CDK5R1NPY5RCYP2A6
SCHEMBL1605273 0.77 CYP19A1 (0.68) CYP19A1CDK5CDK5R1FGFR1CLK2
SCHEMBL1605712 0.77 CYP19A1 (0.68) CYP19A1VCPHPGDSCDK5CDK5R1
SCHEMBL29790209 0.76 CYP19A1 (1.00) CYP19A1VCPCDK5CDK5R1CLK2
SCHEMBL2789486 0.76 CYP19A1 (1.00) CYP19A1VCPCDK5CDK5R1CLK2
Hydrochloric Acid SCHEMBL27830550 0.75 CYP19A1 (0.97) CYP19A1VCPCDK5CDK5R1CLK2
SCHEMBL4568277 0.74 PTGS1 (0.42) VCPTLR9TLR8TLR7KDM4E
SCHEMBL1120933 0.74 CYP19A1 (0.62) CYP19A1CDK5CDK5R1NPY5RKDM4E

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 1262/4885VCP 4545/4885HPGDS 766/4885

“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.