SCHEMBL4096832

SCHEMBL4096832

Nc1ccc2c(c1)NC(=O)C2(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.41
PDK2 Q15119 3/20 0.39
PKM P14618 1/20 0.37
GAA P10253 3/20 0.34
AR P10275 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
TDP2 O95551 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SRC P12931 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL2012314 0.81 PDK2 (0.49) CA9PDK2PKMGAAAR
SCHEMBL6216454 0.74 PDK2 (0.52) PDK2GAAKDM4EMEN1KMT2A
SCHEMBL496554 0.73 PDK2 (0.55) CA9PDK2GAAKDM4EMEN1
SCHEMBL30539488 0.73 PDK2 (0.55) CA9PDK2GAAKDM4EMEN1
Hydrochloric Acid SCHEMBL7276702 0.71 PDK2 (0.53) CA9PDK2GAAKDM4EMEN1
SCHEMBL14211046 0.70 CA9 (0.42) CA9PDK2GAAKDM4EMEN1
SCHEMBL13931686 0.70 CA9 (0.39) CA9PDK2GAAKDM4EMEN1
SCHEMBL9375869 0.69 MAPK14 (0.49) CA9
SCHEMBL10371361 0.69 ITGA4 (0.43) CA9MAPTALDH1A1
SCHEMBL2330085 0.69

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP disclosed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 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-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CA9 2193/4885PDK2 861/4885PKM 993/4885

“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.