SCHEMBL1994949

SCHEMBL1994949

OCCCNc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.72
MAPK13 O15264 2/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
PRKD1 Q15139 1/20 0.51
KDM4D Q6B0I6 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
NPC1 O15118 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
MAPT P10636 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
XBP1 P17861 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.40
MTOR P42345 1/20 0.40

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
Hydrochloric Acid SCHEMBL6640716 0.99 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1993559 0.94 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11PRKD1
Trifluoroacetic Acid SCHEMBL6640667 0.92 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2000094 0.89 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1996585 0.87 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2887280 0.87 MAPK14 (0.94) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL6640672 0.84 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1994561 0.81 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2890929 0.80 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1991985 0.79 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PRKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP claimed
EP-2338890-A1 4,7-Diazaindole derivatives and their use as fungicides Bayer CropScience AG (DE) 2011-06-29 EP disclosed
EP-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP disclosed
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US disclosed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP disclosed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 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 (3 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-20020013354-A1 p38 map kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885MAPK13 33/4885MAPK12 35/4885
US-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885MAPK13 33/4885MAPK12 35/4885
US-20010044538-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885MAPK13 33/4885MAPK12 35/4885

“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.