SCHEMBL1697693

SCHEMBL1697693

CC(=O)NC(C)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.61
RPS6KA5 O75582 1/20 0.61
MAP4K4 O95819 1/20 0.61
CDK1 P06493 1/20 0.61
CSF1R P07333 1/20 0.61
PRKACA P17612 1/20 0.61
FLT1 P17948 1/20 0.61
RPS6KB1 P23443 1/20 0.61
CDK2 P24941 1/20 0.61
MAPK1 P28482 1/20 0.61
AKT1 P31749 1/20 0.61
FLT4 P35916 1/20 0.61
KDR P35968 1/20 0.61
FLT3 P36888 1/20 0.61
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
RPS6KA3 P51812 1/20 0.61
PRKX P51817 1/20 0.61
LIMK1 P53667 1/20 0.61
PRKCD Q05655 1/20 0.61

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
SCHEMBL9931517 1.00 ROCK2 (0.61) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL9931061 1.00 ROCK2 (0.61) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL10061707 0.89 ALDH1A1 (0.54) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL21877014 0.86 ROCK2 (0.66) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL21877013 0.86 ROCK2 (0.66) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL1697497 0.83 ACACA (0.59) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL9931091 0.83 ROCK1 (0.58) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL1697500 0.83 ACACA (0.59) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL9931090 0.83 ROCK1 (0.58) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL7736414 0.82 ACACB (0.77) ACACBACACA

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
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
EP-2588451-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS Boehringer Ingelheim International GmbH (DE) 2013-05-08 EP disclosed
CN-103080087-A Piperidine derivatives and their use for the treatment of metabolic disorders BOEHRINGER INGELHEIM INT 2013-05-01 CN disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO 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-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 ROCK2 3663/4885RPS6KA5 560/4885MAP4K4 3702/4885

“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.