SCHEMBL10249174

SCHEMBL10249174

Cc1ccc2c(c1)nc(-c1ccncc1OCC(F)F)n2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
AGPAT2 O15120 1/20 0.39
BUB1 O43683 3/20 0.38
CYP17A1 P05093 1/20 0.38
ATM Q13315 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 5/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
PTGES O14684 1/20 0.34
CASP1 P29466 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
RPS6KA5 O75582 1/20 0.33
CYP11B1 P15538 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
SCHEMBL167613 0.87 POLB (0.42) SMN1; SMN2POLBAGPAT2BUB1CYP17A1
SCHEMBL10248909 0.86 SMN1; SMN2 (0.48) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249052 0.85 MAPT (0.46) SMN1; SMN2POLBAGPAT2CYP17A1ATM
SCHEMBL10249232 0.85 BUB1 (0.39) SMN1; SMN2POLBBUB1CYP17A1MAPT
SCHEMBL10248845 0.84 SMN1; SMN2 (0.46) SMN1; SMN2POLBAGPAT2BUB1ATM
SCHEMBL10249106 0.83 SMN1; SMN2 (0.46) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249166 0.82 SMN1; SMN2 (0.61) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249163 0.81 SMN1; SMN2 (0.48) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10248867 0.81 SMN1; SMN2 (0.44) SMN1; SMN2POLBAGPAT2BUB1ATM
SCHEMBL10249209 0.81 SMN1; SMN2 (0.43) SMN1; SMN2POLBAGPAT2ATMKDM4E

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 SMN1; SMN2 1524/4885POLB 4724/4885AGPAT2 3286/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 SMN1; SMN2 1524/4885POLB 4724/4885AGPAT2 3286/4885

“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.