SCHEMBL9893073

SCHEMBL9893073

CC(=O)Nc1nc2cc(F)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
MTOR P42345 3/20 0.53
NPC1 O15118 7/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 2/20 0.51
PKM P14618 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DYRK1A Q13627 2/20 0.50
ADORA3 P0DMS8 1/20 0.48
PTGS1 P23219 1/20 0.48
MAPK1 P28482 1/20 0.48
KDR P35968 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
AKT1 P31749 1/20 0.47
PIK3CA P42336 1/20 0.47
ABL1 P00519 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL10318990 0.85 CYP3A4 (0.63) LMNAMTORNPC1RAB9ASMN1; SMN2
SCHEMBL9891928 0.84 MTOR (0.50) LMNAMTORNPC1RAB9ASMN1; SMN2
SCHEMBL9892357 0.84 MTOR (0.50) LMNAMTORNPC1RAB9ASMN1; SMN2
SCHEMBL130615 0.83 LMNA (0.65) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL5345714 0.83 LMNA (0.65) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL9893032 0.82 LMNA (0.63) LMNANPC1RAB9ATP53KDM4E
SCHEMBL5355854 0.82 LMNA (0.63) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL2919354 0.82 LMNA (0.63) LMNAMTORNPC1RAB9ASMN1; SMN2
SCHEMBL17097191 0.81 TDO2 (0.63) LMNABRD4
SCHEMBL12829395 0.79 LMNA (0.60) LMNAMTORNPC1RAB9ASMN1; SMN2

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
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 LMNA 4696/4885MTOR 2112/4885NPC1 1904/4885

“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.