SCHEMBL6798713

SCHEMBL6798713

Nc1cccnc1Nc1cccc(-c2ccncc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
SRC P12931 2/20 0.46
KDR P35968 1/20 0.43
SYK P43405 4/20 0.42
EGFR P00533 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CNR1 P21554 1/20 0.41
AAK1 Q2M2I8 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
SCHEMBL30269605 0.91 CA12 (0.49) CA12CA1CA2CA9ABL1
SCHEMBL6795594 0.91 CA12 (0.49) CA12CA1CA2CA9ABL1
SCHEMBL6797836 0.90 CA12 (0.48) CA12CA1CA2CA9ABL1
SCHEMBL2642013 0.87 MEN1 (0.55) CA12CA1CA2CA9HDAC1
SCHEMBL6793161 0.83 CTSC (0.47) CA12CA1CA2CA9HDAC1
SCHEMBL7368536 0.82 NPC1 (0.40) CA12CA1CA2CA9HDAC3
SCHEMBL7368541 0.82 NPC1 (0.40) CA12CA1CA2CA9HDAC3
SCHEMBL6798155 0.82 PDE10A (0.44) CA12CA1CA2CA9ABL1
SCHEMBL6797326 0.81 CNR1 (0.46) CA12CA1CA2CA9ABL1
SCHEMBL11435973 0.81 CA12 (0.61) CA12CA1CA2CA9KDR

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 15 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
EP-0485636-B1 INDOLE DERIVATIVE TORAY INDUSTRIES (JP) 1997-03-12 EP disclosed
EP-0735026-A1 Method for the production of isoquinoline derivatives and their use as intermediates in the preparation of indole derivatives TORAY INDUSTRIES, INC. (JP) 1996-10-02 EP disclosed
US-5539119-A MULTISTAGE FORMATION BY OXIDATION, REDUCING A CARBAMATE TO FORM AN ENAMINE, FORMING AN OXIDE TORAY INDUSTRIES, INC. (JP) 1996-07-23 US disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed
US-5244904-A Immunorepressant, analgesic TORAY INDUSTRIES, INC. (JP) 1993-09-14 US disclosed
EP-0485636-A1 INDOLE DERIVATIVE TORAY INDUSTRIES, INC. (JP) 1992-05-20 EP 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 CA12 2455/4885CA1 3131/4885CA2 571/4885

“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.