SCHEMBL6797237

SCHEMBL6797237

CSc1cccc(NC(=O)Nc2cccc(-n3c(=O)c(Cc4ccccc4)nc4cccnc43)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
BTK Q06187 1/20 0.48
ITK Q08881 1/20 0.48
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NTRK1 P04629 3/20 0.45
NTRK2 Q16620 3/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
GRM4 Q14833 1/20 0.42
KCNJ6 P48051 1/20 0.42
KCNJ3 P48549 1/20 0.42

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 0.91 EGFR (0.51) EGFRBTKITKPDE4BPDE4D
SCHEMBL6802886 0.88 EGFR (0.49) EGFRBTKITKMAPTMEN1
SCHEMBL6799655 0.87 EGFR (0.49) EGFRBTKITKMAPTTP53
SCHEMBL6799006 0.87 EGFR (0.49) EGFRBTKITKMAPTMEN1
SCHEMBL6797647 0.87 EGFR (0.50) EGFRBTKITKPDE4BPDE4D
SCHEMBL6796699 0.87 HTR1A (0.49) EGFRBTKITKMAPTMEN1
SCHEMBL6791969 0.87 EGFR (0.52) EGFRBTKITKMAPTMEN1
SCHEMBL6797247 0.87 EGFR (0.53) EGFRBTKITKPDE4BPDE4D
SCHEMBL6796755 0.86 EGFR (0.57) EGFRBTKITKPDE4BPDE4D
SCHEMBL6797815 0.86 KDR (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 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 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.