SCHEMBL17536743

SCHEMBL17536743

CC(=O)C1Cc2[nH]nc(-c3cccc(C#N)c3)c2CN1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.39
MAPK1 P28482 2/20 0.38
PIN1 Q13526 1/20 0.38
GRK6 P43250 2/20 0.38
HTR7 P34969 1/20 0.37
KCNK3 O14649 4/20 0.37
CREBBP Q92793 1/20 0.37
PGR P06401 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
USP30 Q70CQ3 1/20 0.36
USP7 Q93009 1/20 0.36
IDO1 P14902 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL23645932 0.76 HTR7 (0.45) HTR7ADORA2AADORA1USP30USP7
SCHEMBL14791433 0.70 KCNK3 (0.55) LRRK2MAPK1KCNK3ADORA2AUSP30
SCHEMBL19358368 0.69 USP7 (0.73) LRRK2HTR7ADORA2AADORA2BADORA1
SCHEMBL11628346 0.66 GSK3A (0.58) LRRK2PIN1GRK6PGRADORA2A
SCHEMBL17868167 0.64 LMNA (0.50) HTR7CREBBPUSP7
SCHEMBL23329264 0.64 HAO1 (0.49) PIN1GRK6ADORA2AADORA1
SCHEMBL5271713 0.63 IDO1 (0.46) LRRK2PIN1PGRADORA2AADORA2B
SCHEMBL11629148 0.63 GSK3A (0.46) LRRK2GRK6PGRADORA2AADORA2B
SCHEMBL23998166 0.63 ADORA2A (0.58) ADORA2AADORA2BADORA1IDO1MAOB
SCHEMBL17696918 0.63 AURKA (0.60) LRRK2MAPK1ADORA2AADORA1IDO1

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-9598410-B2 Substituted 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridines, their use as medicament, and pharmaceutical preparations comprising them SANOFI (FR) 2017-03-21 US disclosed
US-20160060259-A1 Substituted 4,5,6,7-Tetrahydro-1H-Pyrazolo[4,3-C]Pyridines, Their Use as Medicament, and Pharmaceutical Preparations Comprising Them SANOFI (FR) 2016-03-03 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-20160060259-A1 Substituted 4,5,6,7-Tetrahydro-1H-Pyrazolo[4,3-C]Pyridines, Their Use as Medicament, and Pharmaceutical Preparations Comprising Them KCNA1, KCNT1, CACNA1I LRRK2 2660/4885MAPK1 388/4885PIN1 3298/4885

“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.