SCHEMBL848924

SCHEMBL848924

Cc1ccc(C(=O)CCc2cccnc2)c(Nc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ TBXAS1 P24557 10/20 0.42
▸ TYRO3 Q06418 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 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
SCHEMBL846959 0.83 FFAR1 (0.40) CYP2C9NAMPTALDH1A1
SCHEMBL847744 0.83 STAT6 (0.39) —
SCHEMBL846971 0.82 STAT6 (0.38) —
SCHEMBL847717 0.81 KMT2A (0.42) NAMPTALDH1A1
SCHEMBL848421 0.80 FAAH (0.41) —
SCHEMBL847737 0.80 PDE4B (0.38) NAMPT
SCHEMBL849127 0.79 STAT6 (0.37) —
SCHEMBL846972 0.77 MAPT (0.36) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL14617173 0.77 GAA (0.46) ALDH1A1
SCHEMBL8171612 0.73 DHODH (0.57) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163906-B2 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO, LLC (US) 2012-04-24 — — US disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 — — EP disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 — — 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-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 CYP1A2 1489/4885CYP3A4 2220/4885CYP2C9 390/4885

“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.

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