SCHEMBL6955008

SCHEMBL6955008

O=C(Nc1cccc(-n2c(=O)c(Cc3ncc[nH]3)nc3cccnc32)c1)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
BTK Q06187 2/20 0.40
ITK Q08881 1/20 0.40
PARP1 P09874 1/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDR P35968 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
AKT1 P31749 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
ENPP2 Q13822 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6796619 0.88 PDE4B (0.40) EGFRBTKITKTP53RXFP1
SCHEMBL6801167 0.88 EGFR (0.49) EGFRBTKITKPARP1TP53
SCHEMBL6798561 0.88 TP53 (0.40) EGFRBTKITKPARP1TP53
SCHEMBL6795984 0.85 EGFR (0.47) EGFRBTKITKPARP1NPC1
Hydrochloric Acid SCHEMBL6796791 0.84 EGFR (0.46) EGFRBTKITKPARP1NPC1
SCHEMBL6792069 0.84 NPC1 (0.44) EGFRBTKITKTP53NPC1
SCHEMBL6955003 0.81 TNIK (0.41) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL6794158 0.81 SIRT2 (0.47) EGFRBTKITKPARP1NPC1
SCHEMBL6796777 0.80 EGFR (0.49) EGFRBTKITKPARP1TP53
SCHEMBL6798559 0.80 NPC1 (0.39) EGFRBTKITKTP53NPC1

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
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP claimed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US claimed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US claimed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed

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.