SCHEMBL263695

SCHEMBL263695

Cc1cc(CNC(=O)c2ccc3nc(C(C)(C)C(F)(F)F)ccc3c2)c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.57
MAPT P10636 1/20 0.57
ALDH1A1 P00352 4/20 0.57
PKM P14618 2/20 0.57
LMNA P02545 1/20 0.57
KDM4E B2RXH2 4/20 0.56
GAA P10253 2/20 0.56
GLA P06280 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 1/20 0.48
HTT P42858 4/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL263858 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1PKMLMNA
SCHEMBL264386 0.81 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALDH1A1PKMLMNA
SCHEMBL264812 0.79 TRPV1 (0.39) SMN1; SMN2MAPTALDH1A1PKMLMNA
SCHEMBL1840774 0.79 ROCK2 (0.45) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL265347 0.79 NAMPT (0.43)
SCHEMBL263771 0.77 EGLN1 (0.40) SMN1; SMN2LMNARAB9AHTTMAPK1
SCHEMBL1840633 0.77 HPGD (0.41) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL2008896 0.76 TP53 (0.38) MAPTALDH1A1LMNAKDM4E
SCHEMBL263302 0.75 EGLN1 (0.39) SMN1; SMN2LMNAHTT
SCHEMBL13491406 0.74 PLAU (0.60) SMN1; SMN2MAPTALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 SMN1; SMN2 1166/4885MAPT 4405/4885ALDH1A1 986/4885

“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.