SCHEMBL9891907

SCHEMBL9891907

CCc1ccnc(NC(=O)C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.53
PKM P14618 1/20 0.52
TYK2 P29597 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NR3C2 P08235 8/20 0.48
MAPK14 Q16539 1/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.44
GSK3B P49841 3/20 0.44
ACVRL1 P37023 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL15350159 0.86 LOXL2 (0.54) TYK2NR3C2TSHRMAPTGSK3B
SCHEMBL91333 0.82 RIOK2 (0.57) RIOK2PKMTYK2MEN1KMT2A
SCHEMBL2619305 0.81 RIOK2 (0.63) RIOK2PKMTYK2MEN1KMT2A
SCHEMBL20988697 0.79 RIOK2 (0.54) RIOK2PKMTYK2MEN1KMT2A
SCHEMBL13180241 0.79 PKM (0.64) RIOK2PKMMEN1KMT2ANR3C2
SCHEMBL19699506 0.79 NR3C2 (0.47) TYK2NR3C2MAPK14MAPTGSK3B
SCHEMBL24598427 0.79 NPC1 (0.51) RIOK2PKMTYK2TSHRMAPT
SCHEMBL17613356 0.79 TYK2 (0.57) TYK2TSHRMAPTGSK3BACVRL1
SCHEMBL19699534 0.79 MAPT (0.59) RIOK2PKMTYK2MEN1KMT2A
SCHEMBL19728666 0.79 TYK2 (0.53) RIOK2TYK2MAPTGSK3BACVRL1

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 RIOK2 4834/4885PKM 2979/4885TYK2 2799/4885

“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.