SCHEMBL10249306

SCHEMBL10249306

C#CCSc1cnccc1-c1nc2cc(C)ccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 1/20 0.37
AGPAT2 O15120 3/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
ACSS2 Q9NR19 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
SCHEMBL10249343 0.89 TSHR (0.42) SMN1; SMN2POLBCA12CA1CA2
SCHEMBL13075453 0.86 KIT (0.37) SMN1; SMN2POLBCA12CA1CA2
SCHEMBL10248957 0.86 SMN1; SMN2 (0.43) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249048 0.83 CA12 (0.36) SMN1; SMN2POLBCA12CA1CA2
SCHEMBL10249110 0.83 SMN1; SMN2 (0.40) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249144 0.83 SMN1; SMN2 (0.38) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249150 0.82 TLR8 (0.41) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10252630 0.82 POLB (0.40) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249017 0.82 MAPT (0.40) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10248930 0.82 SMN1; SMN2 (0.45) SMN1; SMN2POLBCA12CA1CA2

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 4724/4885CA12 3308/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 SMN1; SMN2 1524/4885POLB 4724/4885CA12 3308/4885

“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.