SCHEMBL8246776

SCHEMBL8246776

Cc1cc2cc[nH]c2cc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.52
CSNK2A1 P68400 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
AHR P35869 7/20 0.41
CYP2A6 P11509 3/20 0.41
NR4A2 P43354 2/20 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
NPSR1 Q6W5P4 1/20 0.41
ENPP2 Q13822 2/20 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
SCHEMBL827047 0.82 GPR84 (0.54) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL187774 0.79 GPR84 (0.69) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL30370306 0.79 GPR84 (0.69) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL13904854 0.75 GPR84 (0.52) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL916811 0.75 GPR84 (0.47) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL30573025 0.75 CSNK2A1 (0.55) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL15372398 0.75 CSNK2A1 (0.55) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL1609911 0.75 GPR84 (0.76) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL917519 0.75 CSNK2A1 (0.55) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL615624 0.75 CSNK2A1 (0.60) GPR84CSNK2A1MEN1POLBMAPK1

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-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
WO-2006135873-A2 PARP MODULATORS AND TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2006-12-21 WO disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 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 (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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A GPR84 1314/4885CSNK2A1 1872/4885MEN1 1498/4885

“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.