SCHEMBL7906317

SCHEMBL7906317

Cc1cc(C#N)cc(C(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
RXFP1 Q9HBX9 3/20 0.53
TSHR P16473 2/20 0.52
MAPT P10636 2/20 0.51
USP2 O75604 1/20 0.51
IDH1 O75874 1/20 0.49
IDE P14735 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPK10 P53779 1/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 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
SCHEMBL7913041 0.85 SMN1; SMN2 (0.58) KMT2ATSHRSMN1; SMN2RAB9ANPC1
SCHEMBL3101805 0.84 SMN1; SMN2 (0.52) KMT2ARXFP1MAPTMAPK1MEN1
SCHEMBL7913781 0.83 ALDH1A1 (0.52) KMT2ATSHRMAPK1MEN1SMN1; SMN2
SCHEMBL7906320 0.81 GRM4 (0.56) KMT2ARXFP1MAPTMEN1SMN1; SMN2
SCHEMBL13148169 0.80 KMT2A (0.53) KMT2ARXFP1TSHRMAPTUSP2
SCHEMBL7906315 0.79 NPC1 (0.56) SMN1; SMN2RAB9ANPC1
SCHEMBL7910114 0.78 LRRK2 (0.53) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL7909378 0.78 LRRK2 (0.52) SMN1; SMN2RAB9ANPC1
SCHEMBL13561074 0.77 KMT2A (0.72) KMT2ATSHRMAPTUSP2IDE
SCHEMBL7909381 0.77 LRRK2 (0.57) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 KMT2A 652/4885RXFP1 216/4885TSHR 244/4885

“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.