SCHEMBL6801992

SCHEMBL6801992

O=C(Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
BTK Q06187 1/20 0.51
ITK Q08881 1/20 0.51
KCNK3 O14649 1/20 0.50
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
AKT1 P31749 2/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HMOX1 P09601 1/20 0.44
HMOX2 P30519 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43

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
SCHEMBL6799786 0.95 EGFR (0.49) EGFRBTKITKKCNK3RAB9A
SCHEMBL6792958 0.94 AKT1 (0.50) EGFRBTKITKKCNK3MAPT
SCHEMBL6796777 0.92 EGFR (0.49) EGFRBTKITKKCNK3MAPT
SCHEMBL6793037 0.91 EGFR (0.48) EGFRBTKITKKCNK3RAB9A
SCHEMBL6793042 0.90 AKT1 (0.53) EGFRBTKITKRAB9ANPC1
SCHEMBL6798467 0.90 AKT1 (0.48) EGFRBTKITKRAB9ANPC1
SCHEMBL6791969 0.90 EGFR (0.52) EGFRBTKITKALDH1A1MAPT
Hydrochloric Acid SCHEMBL6791483 0.89 AKT1 (0.46) EGFRBTKITKKCNK3RAB9A
SCHEMBL6797148 0.89 EGFR (0.48) EGFRBTKITKRAB9ANPC1
SCHEMBL6803889 0.89 EGFR (0.48) EGFRBTKITKKCNK3ALDH1A1

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 5 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

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.