SCHEMBL4730778

SCHEMBL4730778

CCc1cncc2ccc(C(=O)NN)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
MPO P05164 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NQO2 P16083 1/20 0.39
MAPT P10636 3/20 0.39
KDM5A P29375 1/20 0.39
BLM P54132 1/20 0.39
GFER P55789 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 4/20 0.38

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
SCHEMBL4727161 0.81 CA1 (0.47) KDM4ECCNCCDK8CYP3A4CYP1A2
SCHEMBL3052255 0.76 EGFR (0.42) KDM4EADORA3MEN1KMT2AMAPT
SCHEMBL1705948 0.74 ESR1 (0.46) CYP3A4IKBKBJAK2ROCK2JAK1
SCHEMBL20429324 0.73 PDE10A (0.43) KDM4ECYP1A2CYP2A6MEN1KMT2A
SCHEMBL1519811 0.72 SMYD3 (0.60) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL7541373 0.72 KDM4E (0.55) KDM4ECCNCCDK8MPOCYP3A4
SCHEMBL808434 0.71 MPO (0.58) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL19657668 0.70 CCNC (0.54) CCNCCDK8CYP3A4NQO2PLAU
SCHEMBL6768809 0.70 EGFR (0.51) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL3056079 0.70 RAB9A (0.50) KDM4ECYP3A4CYP1A2CYP2D6CYP2C19

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR KDM4E 1212/4885CCNC 400/4885CDK8 181/4885

“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.