SCHEMBL115920

SCHEMBL115920

Cn1c(-c2ccncc2OCC(F)(F)F)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ CYP17A1 P05093 5/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDE2A O00408 5/20 0.37
▸ PDE10A Q9Y233 5/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ BUB1 O43683 1/20 0.36
▸ PDE6D O43924 2/20 0.35
▸ PDE6A P16499 2/20 0.35
▸ PDE6G P18545 2/20 0.35
▸ PDE6B P35913 2/20 0.35
▸ PDE6C P51160 2/20 0.35
▸ PDE6H Q13956 2/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ METAP2 P50579 1/20 0.34

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
SCHEMBL10284540 0.94 POLB (0.42) POLBCYP17A1SMN1; SMN2PDE2APDE10A
SCHEMBL120109 0.91 POLB (0.48) POLBCYP17A1SMN1; SMN2PDE2APDE10A
SCHEMBL354193 0.89 POLB (0.45) POLBCYP17A1SMN1; SMN2PDE2APDE10A
SCHEMBL117769 0.89 POLB (0.42) POLBCYP17A1SMN1; SMN2PDE2APDE10A
SCHEMBL117897 0.89 POLB (0.42) POLBCYP17A1SMN1; SMN2PDE2APDE10A
SCHEMBL354615 0.89 POLB (0.46) POLBCYP17A1SMN1; SMN2PDE2APDE10A
SCHEMBL175248 0.89 POLB (0.43) POLBCYP17A1SMN1; SMN2PDE2APDE10A
SCHEMBL4406075 0.89 POLB (0.44) POLBCYP17A1SMN1; SMN2PDE2APDE10A
SCHEMBL355786 0.89 POLB (0.42) POLBSMN1; SMN2PDE2APDE10ABUB1
SCHEMBL10284935 0.89 POLB (0.42) POLBCYP17A1SMN1; SMN2PDE2APDE10A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 — — EP disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 — — US disclosed
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-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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 — — US disclosed
EP-2424856-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-03-07 — — EP disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 — — 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 POLB 4724/4885CYP17A1 1652/4885SMN1; SMN2 1524/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 POLB 4724/4885CYP17A1 1652/4885SMN1; SMN2 1524/4885

“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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