SCHEMBL12445735

SCHEMBL12445735

Cc1nnc(-c2ccc(C)c(-c3c(=O)ccn4c(-c5ccc(F)cc5F)cccc34)c2)s1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.57
PIM1 P11309 4/20 0.36
PIM3 Q86V86 4/20 0.36
PIM2 Q9P1W9 1/20 0.36
FGFR3 P22607 1/20 0.32
SCN9A Q15858 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL1244337 0.94 NR1I2 (0.58) NR1I2PIM1PIM3PIM2FGFR3
SCHEMBL1244274 0.90 NR1I2 (0.53) NR1I2PIM1PIM3PIM2
SCHEMBL1244742 0.76 NR1I2 (0.58) NR1I2FGFR3
SCHEMBL1242149 0.74 NR1I2 (1.00) NR1I2
SCHEMBL1242063 0.73 NR1I2 (0.57) NR1I2
SCHEMBL1243683 0.73 NR1I2 (0.59) NR1I2
SCHEMBL1243508 0.72 NR1I2 (0.53) NR1I2
SCHEMBL1244588 0.72 NR1I2 (0.66) NR1I2FGFR3
SCHEMBL12445707 0.71 NR1I2 (0.80) NR1I2
SCHEMBL1241942 0.71 NR1I2 (0.68) NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183959-A1 P38 KINASE INHIBITING AGENTS CHEN MENG-HSIN 2011-07-28 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 (1 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-20110183959-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPK7 NR1I2 589/4885PIM1 2541/4885PIM3 3477/4885

“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.