SCHEMBL8967445

SCHEMBL8967445

O=C(c1cccnc1)c1nc(N2CCNC(c3ccccc3)C2)ccc1C#CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 7/20 0.46
PRKCD Q05655 3/20 0.39
RPS6KB1 P23443 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GSK3B P49841 2/20 0.37
NAPEPLD Q6IQ20 1/20 0.35
PRKCA P17252 3/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE10A Q9Y233 1/20 0.35
LMNA P02545 1/20 0.34
CCR5 P51681 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33

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
SCHEMBL8967787 0.90 PRKCQ (0.47) PRKCQPRKCDRPS6KB1ALDH1A1GSK3B
SCHEMBL8968077 0.90 PRKCQ (0.47) PRKCQPRKCDRPS6KB1ALDH1A1GSK3B
SCHEMBL8968022 0.90 PRKCQ (0.47) PRKCQPRKCDRPS6KB1ALDH1A1GSK3B
SCHEMBL8966867 0.88 PRKCQ (0.48) PRKCQPRKCDRPS6KB1ALDH1A1GSK3B
SCHEMBL9014976 0.84 PRKCQ (0.65) PRKCQPRKCDRPS6KB1PRKCA
SCHEMBL8967419 0.83 PRKCQ (0.54) PRKCQPRKCDALDH1A1PRKCAKDM4E
SCHEMBL8966800 0.82 PRKCQ (0.49) PRKCQPRKCDRPS6KB1ALDH1A1GSK3B
SCHEMBL8967368 0.81 PRKCQ (0.48) PRKCQPRKCDRPS6KB1ALDH1A1GSK3B
SCHEMBL8967927 0.81 PRKCQ (0.48) PRKCQPRKCDRPS6KB1ALDH1A1GSK3B
SCHEMBL8967937 0.81 PRKCQ (0.48) PRKCQPRKCDRPS6KB1ALDH1A1GSK3B

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 120/4885RPS6KB1 401/4885

“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.