SCHEMBL6796282

SCHEMBL6796282

Nc1cccnc1Nc1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.57
PIK3CA P42336 3/20 0.57
PIK3CG P48736 3/20 0.57
PIK3CB P42338 2/20 0.57
MTOR P42345 2/20 0.57
GLA P06280 1/20 0.52
HTT P42858 1/20 0.52
TTBK1 Q5TCY1 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.50
EGFR P00533 2/20 0.50
TTBK2 Q6IQ55 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
BRAF P15056 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
SYK P43405 5/20 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
SCHEMBL6804491 0.82 CA12 (0.51) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL5027038 0.81 CA12 (0.62) HTTTTBK1ABCG2TTBK2CA12
SCHEMBL13515064 0.81 CA12 (0.50) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL6798480 0.81 GRM4 (0.56) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL6799337 0.81 LMNA (0.63) HTTABCG2EGFRCA12CA1
SCHEMBL6798812 0.81 NPC1 (0.63) HTTTTBK1ABCG2EGFRTTBK2
SCHEMBL645937 0.81 EGFR (0.59) ABCG2EGFRCA12CA1CA2
SCHEMBL30269613 0.81 GRM4 (0.56) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL6799009 0.81 EGFR (0.56) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL6795594 0.79 CA12 (0.49) ABCG2EGFRCA12CA1CA2

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 13 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-1036650-C process for the preparation of sulfonamide derivatives EISAI CO LTD (JP) 1997-12-10 CN 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
CN-1136036-A Sulfonamide derivatives EISAI CO LTD (JP) 1996-11-20 CN disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed
CN-1059519-A Sulfonamide derivatives EISAI CO LTD (JP) 1992-03-18 CN 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 PIK3CD 2899/4885PIK3CA 2961/4885PIK3CG 3315/4885

“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.