SCHEMBL14519366

SCHEMBL14519366

OCCn1cc(-c2ccncc2)c(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.58
BRAF P15056 6/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CSNK1D P48730 4/20 0.57
MAP4K4 O95819 3/20 0.57
CSNK1E P49674 3/20 0.57
MAPK3 P27361 3/20 0.57
MAPK1 P28482 3/20 0.57
BMPR1B O00238 2/20 0.57
CIT O14578 2/20 0.57
RIPK2 O43353 2/20 0.57
STK10 O94804 2/20 0.57
ABL1 P00519 2/20 0.57
RAF1 P04049 2/20 0.57
ERBB3 P21860 2/20 0.57
JAK1 P23458 2/20 0.57
ACVR1B P36896 2/20 0.57
TGFBR1 P36897 2/20 0.57
MAPK10 P53779 2/20 0.57

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
SCHEMBL27716525 1.00 PTGIR (0.58) PTGIRBRAFMEN1KMT2ACSNK1D
SCHEMBL11484651 0.92 PTGIR (0.66) PTGIRBRAFMEN1KMT2ACSNK1D
SCHEMBL17088198 0.87 BRAF (0.60) BRAFMEN1KMT2ACSNK1DMAP4K4
SCHEMBL6077523 0.85 CSNK1D (0.65) BRAFMEN1KMT2ACSNK1DMAP4K4
SCHEMBL1892201 0.85 CSNK1D (0.65) BRAFMEN1KMT2ACSNK1DMAP4K4
SCHEMBL17088200 0.85 MEN1 (0.62) BRAFMEN1KMT2ACSNK1DMAP4K4
SCHEMBL12461241 0.85 BRAF (0.53) PTGIRBRAFMEN1KMT2ACSNK1D
SCHEMBL11495249 0.84 PTGIR (0.68) PTGIRBRAFMEN1KMT2ACSNK1D
SCHEMBL17088202 0.84 PDE10A (0.57) MEN1KMT2APDE10A
SCHEMBL17088199 0.80 MEN1 (0.66) BRAFMEN1KMT2ACSNK1DMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 PTGIR 98/4885BRAF 897/4885MEN1 3032/4885

“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.