SCHEMBL10249320

SCHEMBL10249320

Cc1ccc2c(c1)nc(-c1ccncc1OC1CCC1)n2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MELK Q14680 2/20 0.40
AGPAT2 O15120 1/20 0.39
ACSL1 P33121 5/20 0.37
ATM Q13315 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
GSK3B P49841 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL167020 0.86 HTR2B (0.45) POLBSMN1; SMN2MELKAGPAT2ACSL1
SCHEMBL10249166 0.82 SMN1; SMN2 (0.61) POLBSMN1; SMN2AGPAT2ATMKDM4E
SCHEMBL10248912 0.79 SMN1; SMN2 (0.48) POLBSMN1; SMN2AGPAT2ATMCYP11B1
SCHEMBL10249163 0.79 SMN1; SMN2 (0.48) POLBSMN1; SMN2AGPAT2ATMCYP11B1
SCHEMBL10248909 0.79 SMN1; SMN2 (0.48) POLBSMN1; SMN2AGPAT2ATMKDM4E
SCHEMBL10249090 0.78 SMN1; SMN2 (0.40) POLBSMN1; SMN2AGPAT2ATMPRKACA
SCHEMBL10249174 0.78 SMN1; SMN2 (0.45) POLBSMN1; SMN2AGPAT2ATMCYP11B1
SCHEMBL10248845 0.77 SMN1; SMN2 (0.46) POLBSMN1; SMN2AGPAT2ATMKDM4E
SCHEMBL4399013 0.77 SMN1; SMN2 (0.49) POLBSMN1; SMN2AGPAT2ATMKDM4E
SCHEMBL10249052 0.76 MAPT (0.46) POLBSMN1; SMN2AGPAT2ATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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 (2 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 POLB 4724/4885SMN1; SMN2 1524/4885MELK 3443/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 POLB 4724/4885SMN1; SMN2 1524/4885MELK 3443/4885

“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.