SCHEMBL2779367

SCHEMBL2779367

Nc1ccc(N2CCN(C(=O)O)CC2)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AKR1C3 P42330 1/20 0.45
NPY2R P49146 1/20 0.44
CYP3A4 P08684 1/20 0.44
SLC9A1 P19634 1/20 0.44
CYP2C19 P33261 1/20 0.44
TTR P02766 1/20 0.43
GFER P55789 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
YWHAG P61981 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
WDR5 P61964 1/20 0.42
RBP4 P02753 3/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL31316983 0.87 GFER (0.54) MAPTTP53SMN1; SMN2AKR1C3NPY2R
SCHEMBL264195 0.87 GFER (0.54) MAPTTP53SMN1; SMN2AKR1C3NPY2R
SCHEMBL13490136 0.84 HSD11B1 (0.52) AKR1C3NPY2RTTRWDR5RBP4
SCHEMBL1368365 0.84 TSHR (0.50) MAPTTP53SMN1; SMN2CYP3A4SLC9A1
SCHEMBL28000110 0.83 TTR (0.59) AKR1C3NPY2RCYP3A4SLC9A1CYP2C19
SCHEMBL29665792 0.83 NR1H2 (0.51) MAPTTP53SMN1; SMN2NPY2RALDH1A1
SCHEMBL265716 0.83 NR1H2 (0.51) MAPTTP53SMN1; SMN2NPY2RALDH1A1
SCHEMBL3922259 0.81 MAPT (0.63) MAPTSMN1; SMN2GFERKDM4EMEN1
SCHEMBL30501279 0.81 ALDH1A1 (0.44) MAPTSMN1; SMN2AKR1C3NPY2RCYP3A4
SCHEMBL31491403 0.80 KDM4E (0.50) MAPTSMN1; SMN2GFERKDM4EMEN1

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-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP disclosed
WO-2018215668-A1 NOVEL INHIBITORS OF MAP4K1 GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-29 WO disclosed
WO-2017185034-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 8 (CDK8) BY CONJUGATION OF CDK8 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-26 WO disclosed
EP-2731953-A1 TRICYCLIC INHIBITORS OF KINASES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Abbvie Inc. (US) 2014-05-21 EP disclosed
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 CN disclosed
WO-2013012681-A1 TRICYCLIC INHIBITORS OF KINASES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
EP-1951684-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES Targegen, Inc. (US) 2008-08-06 EP disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF MAPT 2960/4885TP53 670/4885SMN1; SMN2 2931/4885

“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.