SCHEMBL11977458

SCHEMBL11977458

CC(C)(C)c1cc2c(cn1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL10220861 0.96 NOS3 (0.50) NOS3NOS1NOS2SIGMAR1
SCHEMBL24842908 0.94 NOS3 (0.48) NOS3NOS1NOS2SIGMAR1
SCHEMBL22607403 0.76 PNMT (0.45)
SCHEMBL13125370 0.76 CYP1A2 (0.38)
SCHEMBL22607402 0.74 CA12 (0.43) CA12CA1CA2
SCHEMBL24654882 0.74 CTNNB1 (0.35)
SCHEMBL18806885 0.74 MAPT (0.43) NOS3NOS1NOS2CA12CA1
SCHEMBL22607192 0.73 WEE1 (0.33)
SCHEMBL23119367 0.73
SCHEMBL24499286 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230054854-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-02-23 US disclosed
US-20220024939-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES RECURIUM IP HOLDINGS, LLC 2022-01-27 US disclosed
US-20210139482-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES RECURIUM IP HOLDINGS, LLC 2021-05-13 US disclosed
US-8889732-B2 Fused heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-11-18 US disclosed
US-20120209005-A1 FUSED HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-16 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 (4 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-20120209005-A1 FUSED HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS MPL, TEK, THPO NOS3 2120/4885NOS1 2427/4885NOS2 2746/4885
US-20210139482-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES MKI67, BRCA1, CCNI NOS3 1310/4885NOS1 1998/4885NOS2 2192/4885
US-20230054854-A1 COMBINATIONS WEE2, WEE1, BCL2 NOS3 2824/4885NOS1 2339/4885NOS2 1958/4885
US-20220024939-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES MKI67, BRCA1, CCNI NOS3 1310/4885NOS1 1998/4885NOS2 2192/4885

“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.