SCHEMBL4895598

SCHEMBL4895598

NCC(Cc1cccc(Cl)c1)Nc1nnc(-c2ccc3cnccc3c2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.47
CDK2 P24941 7/20 0.47
SGK1 O00141 1/20 0.47
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
MCL1 Q07820 1/20 0.40
NCOA1 Q15788 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CDC7 O00311 1/20 0.36
CCNE1 P24864 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
TERT O14746 1/20 0.35

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
SCHEMBL4797102 0.89 AKT1 (0.54) AKT1CDK2SGK1ROCK2KDM4E
SCHEMBL4898277 0.89 AKT1 (0.53) AKT1CDK2SGK1ROCK2ROCK1
SCHEMBL4899252 0.89 AKT1 (0.53) AKT1CDK2SGK1ROCK2ROCK1
SCHEMBL4780577 0.89 AKT1 (0.53) AKT1CDK2SGK1ROCK2ROCK1
SCHEMBL4898308 0.88 AKT1 (0.50) AKT1CDK2SGK1ROCK2ROCK1
SCHEMBL4902382 0.88 AKT1 (0.50) AKT1CDK2SGK1ROCK2ROCK1
SCHEMBL4893264 0.87 AKT1 (0.57) AKT1CDK2SGK1KDM4EPOLB
SCHEMBL4894737 0.87 AKT1 (0.57) AKT1CDK2SGK1KDM4EPOLB
SCHEMBL4850255 0.87 ROCK1 (0.49) AKT1CDK2SGK1ROCK2ROCK1
SCHEMBL4891531 0.86 AKT1 (0.58) AKT1CDK2SGK1ROCK2

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.