SCHEMBL6796930

SCHEMBL6796930

Nc1cccnc1Nc1cccc(-c2csc(-c3cccnc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.55
AXL P30530 1/20 0.55
PBRM1 Q86U86 1/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
RAB9A P51151 6/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 6/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
HPGDS O60760 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6794259 0.85 EGFR (0.53) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL6798593 0.83 CYP19A1 (0.53) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL2642013 0.82 MEN1 (0.55) AXLMKNK1MKNK2ALDH1A1MAPK1
SCHEMBL6798787 0.80 CYP19A1 (0.72) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6796851 0.76 ALOX5 (0.59) RAB9AALDH1A1NPC1MAPTMAPK1
SCHEMBL6798713 0.76 CA12 (0.47) CYP19A1KDM4EALDH1A1NPC1LMNA
SCHEMBL6797326 0.75 CNR1 (0.46) NPC1LMNA
SCHEMBL14320817 0.74 RAB9A (0.77) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6196239 0.74 CYP19A1 (1.00) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6795594 0.73 CA12 (0.49) KDM4EMAPTGAATDP1MEN1

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 12 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-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
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-0764162-A1 CYCLOBUT-3-ENE-1,2-DIONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-03-26 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed
WO-1995034556-A1 CYCLOBUT-3-ENE-1,2-DIONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-12-21 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 CYP19A1 488/4885AXL 2681/4885PBRM1 537/4885

“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.