SCHEMBL4858870

SCHEMBL4858870

Cc1cccc(C(=O)C(=O)c2ccc3nccnc3c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 4/20 0.42
P2RX7 Q99572 1/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
KLK7 P49862 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TGFBR1 P36897 2/20 0.41
TDP1 Q9NUW8 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
SCHEMBL4876970 0.86 ALOX15 (0.55) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL4866180 0.85 NPC1 (0.54) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL4866163 0.85 NPC1 (0.54) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL6181864 0.82 MAPT (0.48) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL5260111 0.81 NPC1 (0.45) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL23217923 0.80 NPC1 (0.40) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL29796592 0.78 P2RX7 (0.38) NPC1P2RX7TGFBR1CES1GRM5
SCHEMBL23389992 0.78 P2RX7 (0.38) NPC1P2RX7TGFBR1CES1GRM5
SCHEMBL2237588 0.78 P2RX7 (0.62) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL14576794 0.75 NPC1 (0.48) NPC1MEN1KMT2ARAB9AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407958-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO., LTD. (KR) 2008-08-05 US disclosed
EP-1620426-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS In2gen Co., Ltd. (KR) 2006-02-01 EP disclosed
US-20050261299-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2005-11-24 US disclosed
WO-2005103028-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS IN2GEN CO., LTD (KR) 2005-11-03 WO disclosed
US-6906089-B2 Triarylimidazole derivatives as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-06-14 US disclosed
EP-1268465-B1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP disclosed
US-20030149277-A1 Triarylimidazole derivatives as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION 2003-08-07 US disclosed
EP-1268465-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-02 EP disclosed
WO-2002055077-A1 USE OF IMIDAZOLYL CYCLIC ACETAL DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF DISEASES MEDIATED BY THE ALK5 RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-18 WO disclosed
WO-2001072737-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 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 (2 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-20050261299-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ACVR1, ACVRL1, ACVR1B NPC1 3585/4885MEN1 873/4885KMT2A 1460/4885
US-20030149277-A1 Triarylimidazole derivatives as cytokine inhibitors IL2, IL2RA, IL6ST NPC1 1981/4885MEN1 3492/4885KMT2A 3101/4885

“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.