SCHEMBL9908373

SCHEMBL9908373

CCc1ccc(C(=O)NC2CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 6/20 0.56
PRKAA2 P54646 5/20 0.50
PRKAB2 O43741 3/20 0.50
PRKAG1 P54619 3/20 0.50
PRKAA1 Q13131 3/20 0.50
PRKAG3 Q9UGI9 3/20 0.50
PRKAG2 Q9UGJ0 3/20 0.50
PRKAB1 Q9Y478 3/20 0.50
PARP1 P09874 3/20 0.48
MAPT P10636 2/20 0.45
MAPK14 Q16539 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL5568167 0.86 PRKAA2 (0.51) SMYD3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL178410 0.80 CNR1 (0.52) SMYD3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL18373773 0.79 HDAC6 (0.52) PARP1MAPTMAPK14SMN1; SMN2NPC1
SCHEMBL12561176 0.79 PLK1 (0.55) PARP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12291731 0.79 MAPT (0.46) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL506648 0.78 ALDH1A1 (0.50) SMYD3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL16047520 0.78 MAPK1 (0.64) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL17253106 0.78 PRKAB2 (0.48) SMYD3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL27308715 0.78 MAPT (0.49) PARP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9908372 0.78 PARP1 (0.53) PARP1MAPTSMN1; SMN2NPC1RAB9A

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-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 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-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 SMYD3 4484/4885PRKAA2 232/4885PRKAB2 294/4885

“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.