SCHEMBL10249166

SCHEMBL10249166

COc1cnccc1-c1nc2cc(C)ccc2n1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ POLB P06746 1/20 0.61
▸ AGPAT2 O15120 2/20 0.46
▸ ATM Q13315 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HTT P42858 2/20 0.38
▸ PDE10A Q9Y233 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ AAK1 Q2M2I8 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ ACSS2 Q9NR19 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RPS6KA5 O75582 1/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ PDE11A Q9HCR9 1/20 0.37

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
SCHEMBL10249163 0.86 SMN1; SMN2 (0.48) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10248912 0.86 SMN1; SMN2 (0.48) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10248909 0.86 SMN1; SMN2 (0.48) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL169465 0.84 POLB (0.55) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10248845 0.84 SMN1; SMN2 (0.46) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL4399013 0.83 SMN1; SMN2 (0.49) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249106 0.83 SMN1; SMN2 (0.46) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249052 0.83 MAPT (0.46) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249174 0.82 SMN1; SMN2 (0.45) SMN1; SMN2POLBAGPAT2ATMKDM4E
SCHEMBL10249320 0.82 POLB (0.45) 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.

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