SCHEMBL11964050

SCHEMBL11964050

Cc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4cc(C(F)(F)F)ccc4Cl)CC3)nc2)cc1-c1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
STAT3 P40763 1/20 0.44
DDR2 Q16832 5/20 0.43
BRAF P15056 4/20 0.43
RAF1 P04049 3/20 0.43
FGFR1 P11362 1/20 0.43
TNK2 Q07912 1/20 0.43
MAP4K2 Q12851 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK14 Q16539 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL1140276 0.91 MAPT (0.47) MAPTKDM4ESMN1; SMN2STAT3DDR2
SCHEMBL12323429 0.88 ABL1 (0.47) DDR2RAF1ABL1KCNQ3KCNQ2
SCHEMBL13237138 0.84 EPHX2 (0.46) MAPTKDM4ESMN1; SMN2ABL1KCNQ3
SCHEMBL12323403 0.84 ABL1 (0.49) DDR2RAF1ABL1EGFRKCNQ3
SCHEMBL12322745 0.83 KCNQ3 (0.48) MAPTKDM4EDDR2RAF1ABL1
SCHEMBL12324290 0.82 TRPV1 (0.48) DDR2RAF1ABL1KCNQ3KCNQ2
SCHEMBL1140304 0.81 SMN1; SMN2 (0.64) MAPTKDM4ESMN1; SMN2STAT3BRAF
SCHEMBL16986700 0.81 CETP (0.43) MAPTKDM4ESMN1; SMN2TRPV1
SCHEMBL12323483 0.80 LCK (0.49) DDR2RAF1ABL1EGFRKCNQ3
SCHEMBL2427013 0.80 PPARG (0.44) MAPTKDM4ESMN1; SMN2TRPV1

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-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 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-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4520/4885KDM4E 1129/4885SMN1; SMN2 3605/4885

“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.