SCHEMBL6799252

SCHEMBL6799252

Nc1cccnc1Nc1cccc(NC(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
BTK Q06187 5/20 0.53
BLK P51451 4/20 0.53
KDM4E B2RXH2 1/20 0.53
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 1/20 0.52
KDR P35968 2/20 0.50
ABL1 P00519 2/20 0.49
PDGFRB P09619 1/20 0.49
ENPP2 Q13822 1/20 0.48
BCR P11274 1/20 0.48
ABL2 P42684 1/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PLAU P00749 1/20 0.48
DEGS1 O15121 1/20 0.48
SIRT2 Q8IXJ6 2/20 0.47

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
SCHEMBL6791845 0.87 KCNK3 (0.61) MEN1KMT2AHDAC1HDAC2KDR
SCHEMBL6798582 0.86 HDAC1 (0.52) NPC1RAB9ABTKBLKKDM4E
SCHEMBL6793342 0.85 PTPN11 (0.56) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6798920 0.83 JAK2 (0.53) MEN1KMT2ANPC1RAB9ABTK
SCHEMBL7830229 0.81 GRM4 (0.56) MEN1KMT2AHDAC1KDRABL1
SCHEMBL6798185 0.79 NPC1 (0.69) MEN1KMT2ANPC1RAB9ABTK
SCHEMBL6798734 0.78 GRM4 (0.55) MEN1KMT2ANPC1RAB9AKDR
SCHEMBL6793593 0.78 ABCG2 (0.57) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL6798155 0.77 PDE10A (0.44) ABL1BCRSIRT2
SCHEMBL15599961 0.76 MEN1 (0.78) MEN1KMT2ANPC1RAB9AKDM4E

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
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
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 MEN1 2703/4885KMT2A 968/4885NPC1 875/4885

“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.