SCHEMBL8968022

SCHEMBL8968022

CC#Cc1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 10/20 0.47
PRKCD Q05655 4/20 0.40
GSK3B P49841 2/20 0.40
RPS6KB1 P23443 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PRKCA P17252 4/20 0.37
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
NAPEPLD Q6IQ20 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8968077 1.00 PRKCQ (0.47) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1
SCHEMBL8967787 1.00 PRKCQ (0.47) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1
SCHEMBL8967445 0.90 PRKCQ (0.46) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1
SCHEMBL8966867 0.90 PRKCQ (0.48) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1
SCHEMBL8966800 0.85 PRKCQ (0.49) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1
SCHEMBL8967358 0.83 PRKCQ (0.53) PRKCQPRKCDALDH1A1PRKCAKDM4E
SCHEMBL9012970 0.83 PRKCQ (0.67) PRKCQPRKCDRPS6KB1PRKCA
SCHEMBL9009946 0.83 PRKCQ (0.67) PRKCQPRKCDRPS6KB1PRKCA
SCHEMBL9012904 0.83 PRKCQ (0.67) PRKCQPRKCDRPS6KB1PRKCA
SCHEMBL14984296 0.83 PRKCQ (0.47) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1

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-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCD 120/4885GSK3B 152/4885

“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.