SCHEMBL846911

SCHEMBL846911

COc1ccc(C(=O)C=Cc2ccc(C)nc2Nc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ ABCG2 Q9UNQ0 13/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ABCB1 P08183 7/20 0.41
▸ KDM1A O60341 1/20 0.39
▸ NNMT P40261 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL847910 0.85 KMT2A (0.43) ABCG2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL846912 0.80 NPC1 (0.47) MAOAMAOBABCG2NPC1RAB9A
SCHEMBL1390340 0.73 MAOB (0.66) MAOAMAOBNPC1RAB9ANNMT
SCHEMBL1390328 0.73 MAOB (0.66) MAOAMAOBABCG2NPC1RAB9A
SCHEMBL16616620 0.71 MAOB (0.57) MAOBABCG2NPC1RAB9ACYP1A1
SCHEMBL16616622 0.71 MAOB (0.57) MAOBABCG2NPC1RAB9ACYP1A1
SCHEMBL1390294 0.70 MAOB (0.66) MAOAMAOBABCG2NPC1NNMT
SCHEMBL1390372 0.70 MAOB (0.54) MAOAMAOBABCG2NPC1RAB9A
SCHEMBL3630762 0.70 KMT2A (0.45) NPC1RAB9AKDM1ALMNAALDH1A1
SCHEMBL847717 0.69 KMT2A (0.42) NPC1RAB9ALMNAMAPTALDH1A1

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 6 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
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 — — EP disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 — — WO 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 MAOA 3825/4885MAOB 2532/4885ABCG2 1537/4885

“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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