SCHEMBL4891436

SCHEMBL4891436

NCC(Cc1ccccc1)Nc1nnc(-c2ccc3cnccc3n2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.35
CDK2 P24941 2/20 0.35
SGK1 O00141 1/20 0.35
NOX1 Q9Y5S8 3/20 0.34
CDC7 O00311 1/20 0.33
CCNE1 P24864 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCD Q05655 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
AKT2 P31751 3/20 0.32
AKT3 Q9Y243 3/20 0.32
GPR142 Q7Z601 1/20 0.32
HDAC8 Q9BY41 2/20 0.31

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
SCHEMBL4900165 1.00 AKT1 (0.35) AKT1CDK2SGK1NOX1CDC7
SCHEMBL4894645 1.00 AKT1 (0.35) AKT1CDK2SGK1NOX1CDC7
SCHEMBL4784195 0.82 AKT1 (0.33) AKT1AKT2AKT3AURKARPS6KB1
SCHEMBL4895662 0.82 AKT1 (0.33) AKT1AKT2AKT3AURKARPS6KB1
SCHEMBL4899252 0.81 AKT1 (0.53) AKT1CDK2SGK1NOX1CDC7
SCHEMBL4898277 0.81 AKT1 (0.53) AKT1CDK2SGK1NOX1CDC7
SCHEMBL4780577 0.81 AKT1 (0.53) AKT1CDK2SGK1NOX1CDC7
SCHEMBL4900634 0.80 AURKA (0.33) AKT1NOX1AURKARPS6KB1
SCHEMBL4897610 0.80 NOX1 (0.32) NOX1AURKARPS6KB1
SCHEMBL4896070 0.79 ROCK2 (0.36) AKT1NOX1KDM4ENPC1RAB9A

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 AKT1 26/4885CDK2 64/4885SGK1 467/4885

“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.