SCHEMBL19782854

SCHEMBL19782854

CC(C)(C)OC(=O)NCCOc1cc(C(F)(F)F)c2nc(N)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
PDK2 Q15119 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1C Q13936 1/20 0.42
MAPT P10636 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
CFTR P13569 2/20 0.34
SCN9A Q15858 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ITK Q08881 2/20 0.34
EGFR P00533 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 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
SCHEMBL30189719 1.00 CA12 (0.44) CA12CA1CA2CA9PDK2
SCHEMBL30189817 0.89 CA12 (0.43) CA12CA1CA2CA9PDK2
SCHEMBL19783101 0.89 CA12 (0.43) CA12CA1CA2CA9PDK2
SCHEMBL19782863 0.87 CA12 (0.47) CA12CA1CA2CA9PDK2
SCHEMBL30189679 0.87 CA12 (0.47) CA12CA1CA2CA9PDK2
SCHEMBL30189788 0.86 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL19782871 0.86 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL30189904 0.76 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL19783401 0.76 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL19782843 0.76 CA12 (0.44) CA12CA1CA2CA9PDK2

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 CA12 3728/4885CA1 2630/4885CA2 1774/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CA12 3794/4885CA1 3155/4885CA2 2280/4885

“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.