SCHEMBL12245280

SCHEMBL12245280

CC(C)(C)c1nc(C(F)(F)F)ns1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 6/20 0.33
CCNE1 P24864 6/20 0.33
CDK2 P24941 6/20 0.33
CDK4 P11802 4/20 0.33
CCND1 P24385 4/20 0.33
CCNA2 P20248 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL2619434 0.85
SCHEMBL12251572 0.79
SCHEMBL21304668 0.79
SCHEMBL21233395 0.77
SCHEMBL21720314 0.73
SCHEMBL21784168 0.73
SCHEMBL21453406 0.71 CCNE2 (0.34) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL803125 0.70 CNR2 (0.31)
SCHEMBL22545819 0.70
SCHEMBL20711402 0.68 LMNA (0.34)

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-10472336-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-12 US disclosed
US-10358427-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-23 US disclosed
US-20190040023-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-07 US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 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-10472336-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT CCNE2 2313/4885CCNE1 2961/4885CDK2 1013/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 CCNE2 823/4885CCNE1 1755/4885CDK2 296/4885
US-20190040023-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT CCNE2 2313/4885CCNE1 2961/4885CDK2 1013/4885
US-10358427-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT CCNE2 2313/4885CCNE1 2961/4885CDK2 1013/4885

“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.