SCHEMBL16822020

SCHEMBL16822020

NCc1cncnc1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.40
CYP3A4 P08684 6/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 4/20 0.40
USP2 O75604 4/20 0.40
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 1/20 0.40
KIT P10721 2/20 0.40
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
CYP46A1 Q9Y6A2 4/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
DPP4 P27487 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPK13 O15264 1/20 0.37

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
SCHEMBL14874683 0.83 CYP1A2 (0.40) CYP1A2CYP3A4HSD17B10MAPK1USP2
SCHEMBL8676492 0.76 CYP1A2 (0.39) CYP1A2CYP3A4HSD17B10MAPK1USP2
SCHEMBL29415419 0.76 CYP1A2 (0.45) CYP1A2CYP3A4HSD17B10MAPK1USP2
SCHEMBL3711456 0.74 DPP4 (0.50) CYP1A2MAPK11MAPK14MAPK9MAPK10
SCHEMBL22290219 0.72 CYP1A2 (0.43) CYP1A2CYP3A4HSD17B10MAPK1USP2
SCHEMBL16986181 0.72 SIGMAR1 (0.54) CYP1A2CYP3A4HSD17B10MAPK11MAPK14
SCHEMBL3719117 0.70 LOXL2 (0.52) CYP1A2CYP3A4CYP2C9MAPK11MAPK14
SCHEMBL14874437 0.69 CYP1A2 (0.43) CYP1A2CYP3A4HSD17B10MAPK1USP2
SCHEMBL31452825 0.69 ADORA1 (0.58) CYP1A2CYP3A4HSD17B10MAPK1USP2
SCHEMBL16822015 0.69 CYP11B1 (0.46) CYP1A2CYP3A4HSD17B10MAPK1USP2

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-3736268-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2020-11-11 EP disclosed
EP-3082819-B1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed
US-9783505-B2 Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-10 US disclosed
US-9556126-B2 Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-01-31 US disclosed
US-20160354374-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2016-12-08 US disclosed
EP-3082819-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2016-10-26 EP disclosed
US-9156798-B2 Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-10-13 US disclosed
US-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS LLC 2015-09-03 US disclosed
WO-2015095679-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2015-06-25 WO disclosed
US-20150175557-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS LLC 2015-06-25 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 (3 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-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE CYP1A2 3737/4885CYP3A4 3956/4885HSD17B10 3844/4885
US-20160354374-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE CYP1A2 3737/4885CYP3A4 3956/4885HSD17B10 3844/4885
US-20150175557-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE CYP1A2 3737/4885CYP3A4 3956/4885HSD17B10 3844/4885

“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.