SCHEMBL1600523

SCHEMBL1600523

CCOC(=O)c1cnc(Cl)cc1NCCc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.53
MAPT P10636 5/20 0.48
THRB P10828 1/20 0.48
RPS6KB1 P23443 1/20 0.46
AKT1 P31749 1/20 0.46
POLB P06746 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PPP1CA P62136 1/20 0.44

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
SCHEMBL4174181 0.83 HTT (0.54) ADORA1MAPTTHRBPOLBRXFP1
SCHEMBL2452454 0.81 ALDH1A1 (0.46) ADORA1MAPTPOLBSMN1; SMN2HTT
SCHEMBL1599367 0.80 ADORA1 (0.47) ADORA1MAPTTHRBRPS6KB1AKT1
SCHEMBL15584189 0.80 KDM4E (0.44) ADORA1MAPTTHRBKDM4EALDH1A1
SCHEMBL22208165 0.79 NPSR1 (0.62) ADORA1MAPTTHRBPOLBSMN1; SMN2
SCHEMBL30065035 0.79 NPSR1 (0.62) ADORA1MAPTTHRBPOLBSMN1; SMN2
SCHEMBL15358450 0.79 ADORA1 (0.51) ADORA1MAPTTHRBPOLBSMN1; SMN2
SCHEMBL31141599 0.78 HDAC3 (0.50) ADORA1MAPTRPS6KB1AKT1POLB
SCHEMBL4277553 0.77 ALDH1A1 (0.45) MAPTPOLBKDM4EALDH1A1GAA
SCHEMBL16873158 0.77 KDM4E (0.43) MAPTKDM4EALDH1A1GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919511-B2 Aminopyridines, e.g., 6-(2-cyanophenyl)-4-{[2-(3-fluorophenyl)ethyl]amino}(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-04-05 US disclosed
US-7919511-B2 Aminopyridines, e.g., 6-(2-cyanophenyl)-4-{[2-(3-fluorophenyl)ethyl]amino}(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-04-05 US disclosed
US-7919511-B2 Aminopyridines, e.g., 6-(2-cyanophenyl)-4-{[2-(3-fluorophenyl)ethyl]amino}(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-04-05 US disclosed
US-20080146619-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-19 US disclosed
US-20080146619-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-19 US disclosed
US-20080146619-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-19 US disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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-20080146619-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ADORA1 2532/4885MAPT 540/4885THRB 2763/4885

“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.