SCHEMBL6791845

SCHEMBL6791845

Nc1cccnc1Nc1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 9/20 0.61
KCNK9 Q9NPC2 6/20 0.61
SIRT1 Q96EB6 1/20 0.54
ABL1 P00519 3/20 0.53
PDGFRB P09619 3/20 0.53
KDR P35968 2/20 0.53
HDAC1 Q13547 2/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
PRKD3 O94806 1/20 0.53
PRKCG P05129 1/20 0.53
PRKCB P05771 1/20 0.53
BCR P11274 1/20 0.53
SRC P12931 1/20 0.53
PDGFRA P16234 1/20 0.53
PRKCA P17252 1/20 0.53
PRKCH P24723 1/20 0.53
PRKCI P41743 1/20 0.53
PRKCE Q02156 1/20 0.53
PRKCQ Q04759 1/20 0.53
PRKCZ Q05513 1/20 0.53

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
SCHEMBL6799252 0.87 MEN1 (0.54) SIRT1ABL1PDGFRBKDRHDAC1
SCHEMBL7830229 0.86 GRM4 (0.56) KCNK3KCNK9ABL1PDGFRBKDR
SCHEMBL6797593 0.84 DHODH (0.54) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL6798582 0.84 HDAC1 (0.52) ABL1PDGFRBKDRHDAC1BCR
SCHEMBL6798215 0.84 CDC25B (0.57) ABL1BCRPRKCAMEN1KMT2A
SCHEMBL6798734 0.83 GRM4 (0.55) KCNK3KCNK9KDRHDAC6MEN1
SCHEMBL6793593 0.83 ABCG2 (0.57) MEN1KMT2AALDH1A1MAPTEGFR
SCHEMBL6797018 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL14439750 0.82 NPC1 (0.61) KCNK3KCNK9KDRHDAC1HDAC3
SCHEMBL6796875 0.81 KCNK3 (0.56) KCNK3KCNK9SIRT1ABL1PDGFRB

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-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
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 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 KCNK3 1881/4885KCNK9 1556/4885SIRT1 892/4885

“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.