SCHEMBL6797280

SCHEMBL6797280

O=C(Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1)Nc1cccc2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
EGFR P00533 1/20 0.47
BTK Q06187 1/20 0.47
ITK Q08881 1/20 0.47
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CLK1 P49759 1/20 0.41
AKT1 P31749 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6791857 0.95 EGFR (0.47) TRPV1EGFRBTKITKLMNA
SCHEMBL6794031 0.92 EGFR (0.51) EGFRBTKITKALDH1A1SMN1; SMN2
SCHEMBL6804236 0.90 EGFR (0.47) EGFRBTKITKALDH1A1KDM4E
SCHEMBL6791794 0.90 EGFR (0.47) EGFRBTKITKSMN1; SMN2AKT1
SCHEMBL6799006 0.90 EGFR (0.49) EGFRBTKITKSMN1; SMN2AKT1
SCHEMBL6802886 0.89 EGFR (0.49) EGFRBTKITKLMNAHTT
SCHEMBL6797815 0.89 KDR (0.49) EGFRBTKITKHTTSMN1; SMN2
SCHEMBL6796699 0.88 HTR1A (0.49) EGFRBTKITKLMNASMN1; SMN2
SCHEMBL6791969 0.88 EGFR (0.52) EGFRBTKITKHTTALDH1A1
SCHEMBL6798550 0.87 BTK (0.52) EGFRBTKITKLMNAHTT

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 TRPV1 759/4885EGFR 419/4885BTK 2100/4885

“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.