SCHEMBL2986160

SCHEMBL2986160

Cc1cc2[nH]ccc2cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.47
CSNK2A1 P68400 1/20 0.46
AHR P35869 6/20 0.45
CYP2A6 P11509 3/20 0.45
NR4A2 P43354 2/20 0.45
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CMA1 P23946 1/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
TYR P14679 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41

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
SCHEMBL916811 0.92 GPR84 (0.47) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL3131647 0.82 GPR84 (0.54) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL31481612 0.82 GPR84 (0.54) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL827047 0.82 GPR84 (0.54) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL849501 0.79 CSNK2A1 (0.60) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL20671044 0.76 ALDH1A1 (0.59) AHRCYP2A6MAPK1MEN1POLB
SCHEMBL8648526 0.75 ALOX15 (0.50) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL2936352 0.75 CSNK2A1 (0.60) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL398920 0.75 CSNK2A1 (0.60) GPR84CSNK2A1AHRCYP2A6NR4A2
SCHEMBL917519 0.75 CSNK2A1 (0.55) GPR84CSNK2A1AHRCYP2A6NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763710-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Kala Pharmaceuticals, Inc. (US) 2021-01-13 EP disclosed
CN-104870422-B Amine derivative or its salt 富士胶片富山化学株式会社 2019-03-15 CN disclosed
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP disclosed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 GPR84 1242/4885CSNK2A1 44/4885AHR 4614/4885

“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.