SCHEMBL7121135

SCHEMBL7121135

COCn1cncc1-c1cc2nccc(Cl)c2s1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAP3K8 P41279 1/20 0.31
MCHR1 Q99705 3/20 0.30
CGAS Q8N884 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL308797 0.87 HTR7 (0.39) MCHR1CYP11B1CYP11B2
SCHEMBL308516 0.80 IDO1 (0.40) MCHR1
SCHEMBL7128104 0.79 MET (0.35) NPC1RAB9AKMT2ATDP1MAP3K8
SCHEMBL7127635 0.73 EGFR (0.55)
SCHEMBL5240858 0.70 ALDH1A1 (0.40) NPC1RAB9AKMT2ATDP1MCHR1
SCHEMBL7673525 0.68 RAB9A (0.33) NPC1RAB9AKMT2ATDP1MAP3K8
SCHEMBL5242191 0.68 CDC7 (0.43) NPC1RAB9AKMT2ATDP1MAP3K8
SCHEMBL308582 0.68 MAP3K8 (0.51) NPC1RAB9AKMT2ATDP1MAP3K8
SCHEMBL3566336 0.68 MCHR1 (0.32) NPC1RAB9AMCHR1
SCHEMBL5240748 0.67 ADORA1 (0.40) NPC1RAB9AKMT2ATDP1MAP3K8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2003-08-28 US disclosed
US-6492383-B1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2002-12-10 US 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-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents TYMP, DPYD, HPRT1 NPC1 2221/4885RAB9A 2707/4885KMT2A 2306/4885

“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.