SCHEMBL18378751

SCHEMBL18378751

Cc1cccc(-c2cccnc2)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.56
CYP3A4 P08684 4/20 0.56
CYP2E1 P05181 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2B6 P20813 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
P2RX7 Q99572 1/20 0.51
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPY5R Q15761 1/20 0.50
NPC1 O15118 1/20 0.50
TSHR P16473 1/20 0.50
AHR P35869 1/20 0.50
RAB9A P51151 1/20 0.50
PARP10 Q53GL7 1/20 0.48
PARP11 Q9NR21 1/20 0.48

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
SCHEMBL21742825 0.85 PTGS2 (0.54) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL3752648 0.84 KDM4E (0.61) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL4248368 0.83 CYP2A6 (0.50) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL12117598 0.83 CYP2A6 (0.54) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL12339131 0.83 CYP2A6 (0.54) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL13545698 0.81 CYP2A6 (0.53) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL1771368 0.81 TP53 (0.50) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL29450617 0.81 CYP2A6 (0.53) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL11068804 0.81 NPC1 (0.50) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL1130348 0.81 CYP2A6 (0.53) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
CN-102666656-A Thermosetting composition HUNTSMAN ADV MAT SWITZERLAND 2012-09-12 CN 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP2A6 3831/4885CYP3A4 4332/4885CYP2E1 4024/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP2A6 3831/4885CYP3A4 4332/4885CYP2E1 4024/4885

“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.