SCHEMBL7125950

SCHEMBL7125950

CC(C)(O)c1cccc(-c2cc3nccc(Cl)c3s2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.35
CASR P41180 3/20 0.32
RXRA P19793 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
TYK2 P29597 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TGFBR1 P36897 1/20 0.31
JAK2 O60674 1/20 0.31
SRC P12931 1/20 0.31
HSD17B1 P14061 2/20 0.30
HSD17B2 P37059 2/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
MAP3K8 P41279 2/20 0.30
PSMB8 P28062 1/20 0.30
STK17B O94768 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
SCHEMBL7123648 0.81 GRM5 (0.41) MCHR1NPC1RAB9AKMT2ATDP1
SCHEMBL4707651 0.81 KDM4E (0.32) MCHR1NPC1RAB9AKMT2A
SCHEMBL7123672 0.78 MCHR1 (0.41) MCHR1TYK2RAB9AJAK2SRC
SCHEMBL5242363 0.78 NPC1 (0.42) MCHR1NPC1RAB9AKMT2ATDP1
SCHEMBL5241545 0.77 MCHR1 (0.31) MCHR1
SCHEMBL7118397 0.75 ALDH1A1 (0.43) TYK2NPC1RAB9AJAK2
SCHEMBL5241630 0.75 MCHR1 (0.36) MCHR1TYK2NPC1RAB9AJAK2
SCHEMBL5241092 0.75 MCHR1 (0.43) MCHR1SRCIRAK4
SCHEMBL5243357 0.74 KDM4E (0.50) MCHR1NPC1RAB9A
SCHEMBL7127531 0.73 MCHR1 (0.31) MCHR1RAB9A

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 MCHR1 3278/4885CASR 3824/4885RXRA 1477/4885

“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.