SCHEMBL846962

SCHEMBL846962

Cn1cc(CCC(=O)c2ccc(C(F)(F)F)nc2Nc2ccccc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.38
SYK P43405 2/20 0.38
JAK1 P23458 2/20 0.38
JAK2 O60674 1/20 0.38
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK19 Q9BWU1 2/20 0.36
ALK Q9UM73 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EP300 Q09472 3/20 0.36
HAT1 O14929 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL12984575 0.79 ABCB1 (0.43) SYKMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL29417547 0.77 NPC1 (0.43) JAK3SYKTRPV1NPC1RAB9A
SCHEMBL14575828 0.77 NPC1 (0.43) JAK3SYKTRPV1NPC1RAB9A
SCHEMBL848659 0.77 HDAC2 (0.43) JAK3JAK1JAK2KDRAURKB
SCHEMBL849309 0.73 SYK (0.44) SYKMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30721208 0.73 DHODH (0.53) SYKMEN1KMT2AALDH1A1NPC1
SCHEMBL12984259 0.73 DHODH (0.53) SYKMEN1KMT2AALDH1A1NPC1
SCHEMBL29110319 0.71 MAPT (0.49) SYKNPC1RAB9AMAPK8GSK3B
SCHEMBL22093021 0.71 MAPK8 (0.51) SYKJAK2AURKBIRAK4MAPK8
SCHEMBL848658 0.71 NPC1 (0.42) KDRAURKBCDK19ALKALDH1A1

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 5 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-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 JAK3 423/4885SYK 598/4885JAK1 479/4885

“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.