SCHEMBL6796699

SCHEMBL6796699

O=C(Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1)Nc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.49
DRD2 P14416 2/20 0.49
EGFR P00533 1/20 0.48
BTK Q06187 1/20 0.48
ITK Q08881 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ADORA3 P0DMS8 1/20 0.46
PIM1 P11309 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
FLT3 P36888 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIM3 Q86V86 1/20 0.46
AURKB Q96GD4 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL6794031 0.94 EGFR (0.51) HTR1ADRD2EGFRBTKITK
SCHEMBL6802886 0.90 EGFR (0.49) HTR1ADRD2EGFRBTKITK
SCHEMBL6791969 0.89 EGFR (0.52) HTR1ADRD2EGFRBTKITK
SCHEMBL6797815 0.88 KDR (0.49) EGFRBTKITKADORA3ADORA2A
SCHEMBL6797280 0.88 TRPV1 (0.47) EGFRBTKITKSMN1; SMN2LMNA
SCHEMBL6799655 0.88 EGFR (0.49) EGFRBTKITKNPC1RAB9A
SCHEMBL6792413 0.88 MAPT (0.56) EGFRBTKITKNPC1RAB9A
SCHEMBL6791794 0.88 EGFR (0.47) EGFRBTKITKSMN1; SMN2CYP2C9
SCHEMBL6804236 0.88 EGFR (0.47) EGFRBTKITKSMN1; SMN2TP53
SCHEMBL6799006 0.88 EGFR (0.49) EGFRBTKITKSMN1; SMN2TP53

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 HTR1A 133/4885DRD2 225/4885EGFR 419/4885

“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.