SCHEMBL1630246

SCHEMBL1630246

O=C(O)c1ccc(Cl)nc1NCCc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.49
CSNK2A1 P68400 3/20 0.49
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CNR1 P21554 1/20 0.46
GPR84 Q9NQS5 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AKT1 P31749 1/20 0.44
LMNA P02545 1/20 0.43
GBA1 P04062 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NOS1 P29475 2/20 0.41
NOS3 P29474 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL1632050 0.87 KDM4E (0.45) CSNK2A2CSNK2A1MAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL1632611 0.86 KDM4E (0.44) CSNK2A2CSNK2A1MAPTKDM4EMEN1
SCHEMBL12765141 0.86 CSNK2A2 (0.49) CSNK2A2CSNK2A1MAPTKDM4EMEN1
SCHEMBL1633177 0.85 CSNK2A2 (0.48) CSNK2A2CSNK2A1MAPTKDM4EMEN1
SCHEMBL4188524 0.84 CSNK2A2 (0.51) CSNK2A2CSNK2A1MAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL4178767 0.83 CSNK2A2 (0.50) CSNK2A2CSNK2A1MAPTKDM4EMEN1
SCHEMBL1630794 0.81 GBA1 (0.48) CSNK2A2CSNK2A1MAPTKDM4EMEN1
SCHEMBL12765108 0.80 CSNK2A2 (0.48) CSNK2A2CSNK2A1MAPTKDM4EMEN1
SCHEMBL1631974 0.80 ROCK2 (0.48) CSNK2A2CSNK2A1MAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL1881988 0.80 GBA1 (0.48) CSNK2A2CSNK2A1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US disclosed
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US disclosed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO 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 (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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CSNK2A2 595/4885CSNK2A1 835/4885MAPT 540/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CSNK2A2 595/4885CSNK2A1 835/4885MAPT 540/4885

“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.