SCHEMBL1265069

SCHEMBL1265069

CN(C)Cc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.61
SLC6A2 P23975 8/20 0.61
SLC6A3 Q01959 5/20 0.61
HTR2A P28223 1/20 0.52
KCNH2 Q12809 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CFTR P13569 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 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
SCHEMBL2969068 0.83 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL14367955 0.81 ALDH1A1 (0.52) SLC6A4SLC6A2SLC6A3ALDH1A1PKM
SCHEMBL24229608 0.79 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6450366 0.79 CYP3A4 (0.55) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL31472982 0.77 ALDH1A1 (0.47) SLC6A4SLC6A2SLC6A3ALDH1A1PKM
SCHEMBL4590973 0.77 ALDH1A1 (0.47) SLC6A4SLC6A2SLC6A3ALDH1A1PKM
SCHEMBL28205058 0.77 CYP3A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL8533455 0.77 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL8535028 0.77 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3
SCHEMBL4236353 0.76 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015004481-A1 IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) ASTEX THERAPEUTICS LIMITED (GB) 2015-01-15 WO disclosed
WO-2015004481-A1 IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) ASTEX THERAPEUTICS LIMITED (GB) 2015-01-15 WO disclosed
EP-1751136-B1 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC (US) 2014-07-02 EP disclosed
EP-1751136-B1 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC (US) 2014-07-02 EP disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 US disclosed
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 US disclosed
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 US disclosed
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 US disclosed
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 US disclosed
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 US disclosed
US-20060009453-A1 Protein kinase modulators and method of use AMGEN INC. 2006-01-12 US 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 (2 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-20060009453-A1 Protein kinase modulators and method of use PHKG1, PRKCH, BMP2K SLC6A4 4798/4885SLC6A2 4883/4885SLC6A3 4844/4885
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE GRK4, MAP4K5, GRK5 SLC6A4 4622/4885SLC6A2 4863/4885SLC6A3 4819/4885

“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.