SCHEMBL2567288

SCHEMBL2567288

CC(C)(CNc1ccc(C#N)cn1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CCR6 P51684 2/20 0.40
DPP7 Q9UHL4 1/20 0.38
IDH1 O75874 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
VNN1 O95497 1/20 0.37
GSK3B P49841 1/20 0.36
HCRTR1 O43613 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL12294290 0.80 ATM (0.43) KDM4EALDH1A1GAA
SCHEMBL2559112 0.79 NPC1 (0.43) KDM4EALDH1A1POLBGAA
SCHEMBL646539 0.77 DPP4 (0.47) DPP4DPP7IDH1IRAK4GSK3B
SCHEMBL12286723 0.77 CHEK1 (0.32)
SCHEMBL2563332 0.77 LOXL2 (0.40) KDM4EALDH1A1GAA
SCHEMBL2561830 0.77 GPR55 (0.36) KDM4EALDH1A1GAA
SCHEMBL12294502 0.75 TAAR1 (0.50) KDM4EALDH1A1GAA
SCHEMBL2563223 0.75 NPY5R (0.38) KDM4EALDH1A1POLBGAA
SCHEMBL2564435 0.74 NNMT (0.50) KDM4EALDH1A1VNN1
SCHEMBL2564060 0.74 GABRG2 (0.42) ALDH1A1VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200717-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-07-14 US claimed
US-9994528-B2 Certain amino-pyridines and amino-triazines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2018-06-12 US disclosed
US-9994528-B2 Certain amino-pyridines and amino-triazines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2018-06-12 US disclosed
US-9994528-B2 Certain amino-pyridines and amino-triazines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2018-06-12 US disclosed
US-20160200717-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-07-14 US disclosed
US-20160200717-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-07-14 US disclosed
US-20160200717-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-07-14 US disclosed
EP-2560488-B1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2015-10-28 EP disclosed
EP-2560488-B1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2015-10-28 EP disclosed
US-9133123-B2 Certain amino-pyridines and amino-triazines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2015-09-15 US disclosed
US-9133123-B2 Certain amino-pyridines and amino-triazines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2015-09-15 US disclosed
US-9133123-B2 Certain amino-pyridines and amino-triazines, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2015-09-15 US disclosed
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2013-06-13 US disclosed
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2013-06-13 US disclosed
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2013-06-13 US disclosed
EP-2560488-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE Cytokinetics, Inc. (US) 2013-02-27 EP disclosed
WO-2011133920-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 WO disclosed
WO-2011133920-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. (US) 2011-10-27 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 (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-20160200717-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, PRMT5, H1-5 DPP4 458/4885KDM4E 645/4885ALDH1A1 2669/4885
US-20130150368-A1 CERTAIN AMINO-PYRIDINES AND AMINO-TRIAZINES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE SLC7A1, PRMT5, H1-5 DPP4 458/4885KDM4E 645/4885ALDH1A1 2669/4885

“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.