SCHEMBL6641016

SCHEMBL6641016

OCCNc1c[c]ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
MAP4K4 O95819 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
JAK2 O60674 2/20 0.35
ROCK2 O75116 2/20 0.35
CLK2 P49760 2/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
TYK2 P29597 2/20 0.35
RPS6KB1 P23443 1/20 0.35
ROCK1 Q13464 1/20 0.35
NUDT1 P36639 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MAPK1 P28482 3/20 0.33

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
SCHEMBL7653336 0.89 KDM4D (0.46) POLBKDM4DNUDT1MKNK1MAPK1
SCHEMBL15688595 0.81 HCAR3 (0.37) KDM4EALDH1A1CYP2C19LIMK1LMNA
SCHEMBL5897125 0.81 HRH3 (0.35) KARS1CYP1A2
SCHEMBL7119883 0.79 HRH3 (0.36) ALDH1A1CYP2C19LMNA
SCHEMBL7662000 0.78 HRH3 (0.47) ALDH1A1NUDT1KARS1STK17AMEN1
SCHEMBL5485787 0.77 DNM2 (0.42) LMNA
SCHEMBL7121214 0.77 CYP2C19 (0.56) GAACYP2C19MAP4K4TDO2
SCHEMBL1751921 0.76
SCHEMBL7221398 0.74 TP53 (0.36) KDM4EGAAKDM4DMAP4K4TDO2
SCHEMBL7220284 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US claimed
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US claimed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US claimed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US claimed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US claimed
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
CN-1279682-A bicyclic kinase inhibitors HOFFMANN LA ROCHE (CH) 2001-01-10 CN 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 KDM4E 4225/4885GAA 3481/4885ALDH1A1 1347/4885
US-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 KDM4E 4225/4885GAA 3481/4885ALDH1A1 1347/4885
US-20010044538-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 KDM4E 4225/4885GAA 3481/4885ALDH1A1 1347/4885

“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.