SCHEMBL10249325

SCHEMBL10249325

COC(=O)c1cnccc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B2 P19099 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRA5 P31644 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ALOX5AP P20292 1/20 0.35
AGPAT2 O15120 1/20 0.35

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
SCHEMBL10249147 0.89 ALDH1A1 (0.41) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL10249095 0.87 KDM4C (0.37) ALDH1A1POLBSMN1; SMN2PDE10AMEN1
SCHEMBL10249139 0.86 PFKFB3 (0.36) KDM4EALDH1A1POLBSMN1; SMN2PDE10A
SCHEMBL10284944 0.86 POLB (0.46) CYP46A1KDM4EALDH1A1GLAGAA
SCHEMBL10252614 0.86 SIRT3 (0.47) KDM4EPOLBSMN1; SMN2CYP11B2PDE10A
SCHEMBL10249245 0.85 POLB (0.35) ALDH1A1POLBSMN1; SMN2PDE10AAGPAT2
SCHEMBL10249121 0.84 PFKFB3 (0.35) POLBSMN1; SMN2PDE10AALOX5AP
SCHEMBL10252639 0.84 PDE2A (0.39) SMN1; SMN2PDE10AALOX5APHSD17B10
SCHEMBL10249120 0.81 PDE10A (0.36) KDM4EALDH1A1GAASMN1; SMN2LMNA
SCHEMBL10249322 0.81 EGLN1 (0.38) KDM4EALDH1A1SMN1; SMN2PDE10AMEN1

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 CYP46A1 898/4885KDM4E 3947/4885ALDH1A1 1409/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 CYP46A1 898/4885KDM4E 3947/4885ALDH1A1 1409/4885

“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.