SCHEMBL6798559

SCHEMBL6798559

O=C(Nc1cccc(-n2c(=O)c(CC(=O)n3ccnc3)nc3cccnc32)c1)c1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ENPP2 Q13822 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
AKT1 P31749 1/20 0.37
TP53 P04637 3/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
MAPT P10636 2/20 0.36
TRPV1 Q8NER1 2/20 0.36

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
SCHEMBL6955003 0.88 TNIK (0.41) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL6801167 0.83 EGFR (0.49) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL6792069 0.82 NPC1 (0.44) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL6795984 0.82 EGFR (0.47) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL6798561 0.81 TP53 (0.40) NPC1RAB9AKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL6796791 0.81 EGFR (0.46) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL6955008 0.80 EGFR (0.40) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL6794158 0.78 SIRT2 (0.47) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL6796852 0.76 BTK (0.44) ALDH1A1RXFP1TP53SIRT2SIRT1
SCHEMBL6796610 0.76 WDR5 (0.41) NPC1MEN1KMT2AALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783518-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP claimed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 NPC1 875/4885RAB9A 1092/4885KDM4E 2663/4885

“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.