SCHEMBL10249326

SCHEMBL10249326

C=C(CF)Oc1cnccc1-c1nc2cc(C)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
AGPAT2 O15120 2/20 0.39
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 4/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 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
SCHEMBL167096 0.88 AGPAT2 (0.42) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249052 0.81 MAPT (0.46) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249166 0.81 SMN1; SMN2 (0.61) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10248909 0.80 SMN1; SMN2 (0.48) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249174 0.78 SMN1; SMN2 (0.45) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10248845 0.78 SMN1; SMN2 (0.46) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249163 0.78 SMN1; SMN2 (0.48) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10248912 0.78 SMN1; SMN2 (0.48) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249106 0.77 SMN1; SMN2 (0.46) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249209 0.77 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.