SCHEMBL4781687

SCHEMBL4781687

O=C1c2ccccc2C(=O)N1C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc3cnccc3c2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.41
CDK2 P24941 4/20 0.41
SGK1 O00141 1/20 0.38
SRC P12931 2/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
INSR P06213 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
ROS1 P08922 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MERTK Q12866 1/20 0.35
ERBB4 Q15303 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
SCHEMBL4781683 1.00 AKT1 (0.41) AKT1CDK2SGK1SRCABL1
SCHEMBL4902111 0.92 AKT1 (0.43) AKT1CDK2SGK1SRCABL1
SCHEMBL4781235 0.86 AKT1 (0.45) AKT1CDK2SGK1MEN1KMT2A
SCHEMBL4781239 0.86 AKT1 (0.45) AKT1CDK2SGK1MEN1KMT2A
SCHEMBL4781775 0.86 AKT1 (0.45) AKT1CDK2SGK1MEN1KMT2A
SCHEMBL4891438 0.83 AKT1 (0.49) AKT1CDK2SGK1SRCABL1
SCHEMBL4895923 0.83 AKT1 (0.49) AKT1CDK2SGK1SRCABL1
SCHEMBL4895750 0.83 AKT1 (0.47) AKT1CDK2SGK1LMNAL3MBTL1
SCHEMBL4840377 0.83 AKT1 (0.47) AKT1CDK2SGK1LMNAL3MBTL1
SCHEMBL4781794 0.80 ROCK1 (0.45) AKT1CDK2SGK1RXFP1ROCK2

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 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.