SCHEMBL4897602

SCHEMBL4897602

N#Cc1cncc2ccc(-c3nnc(N[C@@H](CN)Cc4ccccc4)s3)nc12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.32
RPS6KB1 P23443 2/20 0.32

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
SCHEMBL4784195 0.87 AKT1 (0.33) AURKARPS6KB1
SCHEMBL4895662 0.87 AKT1 (0.33) AURKARPS6KB1
SCHEMBL4891154 0.84 ALDH1A1 (0.30)
SCHEMBL4900634 0.84 AURKA (0.33) AURKARPS6KB1
SCHEMBL4897610 0.84 NOX1 (0.32) AURKARPS6KB1
SCHEMBL4893308 0.83 AURKA (0.31) AURKARPS6KB1
SCHEMBL4896070 0.83 ROCK2 (0.36) AURKARPS6KB1
SCHEMBL4897600 0.82 AURKA (0.30) AURKARPS6KB1
SCHEMBL4891436 0.79 AKT1 (0.35) AURKARPS6KB1
SCHEMBL4900165 0.79 AKT1 (0.35) AURKARPS6KB1

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 4 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
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
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 AURKA 1209/4885RPS6KB1 95/4885

“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.