SCHEMBL8209006

SCHEMBL8209006

Cc1nc2cc(CNC(=O)c3cccc(C(=O)NC(C)C)n3)ccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.45
RAB9A P51151 11/20 0.43
NPC1 O15118 8/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL8209007 0.92 MEN1 (0.41) ALDH1A1SMN1; SMN2KDM4EHSD17B10TP53
SCHEMBL8206437 0.80 ADRB2 (0.41) KLKB1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL29333050 0.78 SMN1; SMN2 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8213321 0.78 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12853358 0.78 HPGD (0.53) NPC1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL12853261 0.77 MAPT (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8208043 0.77 MMP13 (0.49) ALDH1A1SMN1; SMN2KDM4ETP53MEN1
SCHEMBL8208507 0.76 KMT2A (0.65) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8198970 0.75 ROCK2 (0.48) ALDH1A1SMN1; SMN2KDM4EHSD17B10MEN1
SCHEMBL8205783 0.75 MEN1 (0.52) RAB9ANPC1ALDH1A1KDM4EMEN1

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
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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 (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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 KLKB1 1959/4885RAB9A 2236/4885NPC1 692/4885

“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.