SCHEMBL6802886

SCHEMBL6802886

O=C(Nc1ccncc1)Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
BTK Q06187 1/20 0.49
ITK Q08881 1/20 0.49
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
TAAR1 Q96RJ0 1/20 0.42
CDK8 P49336 2/20 0.42
MAPT P10636 4/20 0.41
TP53 P04637 3/20 0.41
AKT1 P31749 2/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41
MMP9 P14780 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 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
SCHEMBL6794031 0.96 EGFR (0.51) EGFRBTKITKHTR1ADRD2
SCHEMBL6791969 0.92 EGFR (0.52) EGFRBTKITKHTR1ADRD2
SCHEMBL6796817 0.91 EGFR (0.48) EGFRBTKITKMAPTTP53
SCHEMBL6796699 0.90 HTR1A (0.49) EGFRBTKITKHTR1ADRD2
SCHEMBL6793037 0.90 EGFR (0.48) EGFRBTKITKCDK8MAPT
SCHEMBL6797815 0.89 KDR (0.49) EGFRBTKITKMAPTTP53
SCHEMBL6799814 0.89 EGFR (0.63) EGFRBTKITKMAPTTP53
SCHEMBL6792521 0.89 EGFR (0.49) EGFRBTKITKMAPTTP53
SCHEMBL6791857 0.89 EGFR (0.47) EGFRBTKITKMAPTTP53
SCHEMBL6799655 0.89 EGFR (0.49) EGFRBTKITKMAPTTP53

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.