SCHEMBL6791969

SCHEMBL6791969

O=C(Nc1cccnc1)Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
BTK Q06187 1/20 0.52
ITK Q08881 1/20 0.52
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PIK3R2 O00459 1/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HMOX1 P09601 1/20 0.41

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) EGFRBTKITKHTR1ADRD2
SCHEMBL6802886 0.92 EGFR (0.49) EGFRBTKITKHTR1ADRD2
SCHEMBL6798942 0.90 EGFR (0.46) EGFRBTKITKHTR1ADRD2
SCHEMBL6801992 0.90 EGFR (0.51) EGFRBTKITKMEN1KMT2A
SCHEMBL6796699 0.89 HTR1A (0.49) EGFRBTKITKHTR1ADRD2
SCHEMBL6797815 0.88 KDR (0.49) EGFRBTKITKHTTTP53
SCHEMBL6799006 0.88 EGFR (0.49) EGFRBTKITKMEN1KMT2A
SCHEMBL6792413 0.88 MAPT (0.56) EGFRBTKITKMEN1KMT2A
SCHEMBL6791857 0.88 EGFR (0.47) EGFRBTKITKMEN1KMT2A
SCHEMBL6797280 0.88 TRPV1 (0.47) EGFRBTKITKMEN1KMT2A

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 EGFR 419/4885BTK 2100/4885ITK 4538/4885

“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.