SCHEMBL3327832

SCHEMBL3327832

CCC(N)C(N)c1nc(-c2ccncc2)cc2cnccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 12/20 0.55
PRKCH P24723 11/20 0.55
PRKCE Q02156 11/20 0.55
PRKCQ Q04759 10/20 0.55
PRKCA P17252 8/20 0.55
PRKCB P05771 6/20 0.55
CYP1A2 P05177 1/20 0.55
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
PKN1 Q16512 2/20 0.49
PKN2 Q16513 2/20 0.49
PRKD1 Q15139 2/20 0.49
LATS1 O95835 8/20 0.46
LATS2 Q9NRM7 4/20 0.46

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
SCHEMBL3325696 0.91 PRKCD (0.52) PRKCDPRKCHPRKCEPRKCQPRKCA
SCHEMBL3325795 0.89 PRKCD (0.50) PRKCDPRKCHPRKCEPRKCQPRKCA
SCHEMBL29634278 0.86 PRKCD (0.57) PRKCDPRKCHPRKCEPRKCQPRKCA
SCHEMBL3325764 0.86 PRKCD (0.57) PRKCDPRKCHPRKCEPRKCQPRKCA
Ammonia Solution, Strong SCHEMBL19611956 0.85 PRKCD (0.56) PRKCDPRKCHPRKCEPRKCQPRKCA
SCHEMBL3322844 0.81 PRKCD (0.54) PRKCDPRKCHPRKCEPRKCQPRKCA
SCHEMBL3325907 0.80 PRKCH (0.60) PRKCDPRKCHPRKCEPRKCQPRKCA
SCHEMBL3326341 0.80 PRKCH (0.56) PRKCDPRKCHPRKCEPRKCQPRKCA
SCHEMBL15544680 0.78 PRKCH (0.55) PRKCDPRKCHPRKCEPRKCQPRKCA
SCHEMBL3330215 0.75 PRKCH (0.45) PRKCDPRKCHPRKCEPRKCQPRKCA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES VAN EIS MAURICE 2010-05-27 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-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES PKN1, PKN2, CDK9 PRKCD 63/4885PRKCH 22/4885PRKCE 18/4885

“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.