SCHEMBL3814628

SCHEMBL3814628

Cc1ccc2c(cnn2-c2ccnc(NC3CCC(O)CC3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 14/20 0.73
MAPK9 P45984 13/20 0.73
MAPK10 P53779 11/20 0.73
CYP2C9 P11712 2/20 0.54
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
MKNK1 Q9BUB5 5/20 0.50
MKNK2 Q9HBH9 5/20 0.50
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL5096269 1.00 MAPK8 (0.73) MAPK8MAPK9MAPK10CYP2C9CCNE1
SCHEMBL3814615 0.92 MAPK8 (0.73) MAPK8MAPK9MAPK10CYP2C9CCNE1
SCHEMBL5093840 0.92 MAPK8 (0.73) MAPK8MAPK9MAPK10CYP2C9CCNE1
SCHEMBL5094141 0.84 MAPK8 (1.00) MAPK8MAPK9MAPK10CYP2C9CCNE1
SCHEMBL5102191 0.84 MAPK8 (1.00) MAPK8MAPK9MAPK10CYP2C9CCNE1
SCHEMBL5094025 0.82 MAPK8 (0.72) MAPK8MAPK9MAPK10CYP2C9CCNE1
SCHEMBL5095730 0.82 MAPK8 (0.72) MAPK8MAPK9MAPK10CYP2C9CCNE1
SCHEMBL5090208 0.81 MAPK8 (0.73) MAPK8MAPK9MAPK10CYP2C9CCNE1
SCHEMBL3805465 0.81 MAPK8 (0.73) MAPK8MAPK9MAPK10CYP2C9CCNE1
SCHEMBL5096365 0.81 MAPK10 (0.69) MAPK8MAPK9MAPK10CYP2C9CCNE1

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
US-8399462-B2 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain ROCHE PALO ALTO LLC (US) 2013-03-19 US claimed
EP-2102194-A1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS F. Hoffmann-Roche AG (CH) 2009-09-23 EP claimed
WO-2008068171-A9 SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS HOFFMANN LA ROCHE (CH) 2009-07-16 WO claimed
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 US claimed
WO-2008068171-A1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed
US-8399462-B2 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain ROCHE PALO ALTO LLC (US) 2013-03-19 US disclosed
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 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-20080146565-A1 JNK modulators MAPKAPK2, MAPKAPK3, MAP3K10 MAPK8 40/4885MAPK9 43/4885MAPK10 31/4885

“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.