SCHEMBL6804102

SCHEMBL6804102

O=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(NC(=S)Nc2cccc3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
EGFR P00533 1/20 0.45
BTK Q06187 1/20 0.45
ITK Q08881 1/20 0.45
QPCT Q16769 1/20 0.42
MMP9 P14780 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 4/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKT1 P31749 1/20 0.39
DUSP3 P51452 1/20 0.39

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
SCHEMBL6797047 0.92 EGFR (0.49) EGFRBTKITKMMP9MAOA
SCHEMBL6791857 0.91 EGFR (0.47) EGFRBTKITKKMT2ARAB9A
SCHEMBL6797280 0.85 TRPV1 (0.47) EGFRBTKITKKMT2AALDH1A1
SCHEMBL6798999 0.85 EGFR (0.47) EGFRBTKITKKMT2AALDH1A1
SCHEMBL6796133 0.85 ALDH1A1 (0.50) EGFRBTKITKMMP9MAOA
SCHEMBL6796480 0.84 TP53 (0.46) ALDH1A1KDM4ELMNAMAPTAKT1
SCHEMBL6797838 0.84 NR1I2 (0.49) EGFRBTKITKKMT2AALDH1A1
SCHEMBL6794031 0.84 EGFR (0.51) EGFRBTKITKMMP9MAOA
SCHEMBL6797247 0.83 EGFR (0.53) EGFRBTKITKKMT2AMEN1
SCHEMBL6801055 0.83 EGFR (0.51) EGFRBTKITKMMP9MAOA

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 6 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
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 GAA 3522/4885EGFR 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.