SCHEMBL1881981

SCHEMBL1881981

O=CN(Cc1cccnc1)c1ccc(NCCO)nc1NCCc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
CCNT1 O60563 4/20 0.42
CSNK2A2 P19784 2/20 0.41
CSNK2A1 P68400 2/20 0.41
PKM P14618 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
CDK9 P50750 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
PTAFR P25105 1/20 0.35

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
SCHEMBL1882222 0.95 GBA1 (0.42) GBA1CCNT1CSNK2A2CSNK2A1PKM
SCHEMBL1875650 0.91 CCNT1 (0.47) GBA1CCNT1CSNK2A2CSNK2A1PKM
SCHEMBL1876929 0.90 GBA1 (0.44) GBA1CCNT1CSNK2A2CSNK2A1PKM
SCHEMBL1882969 0.89 PKM (0.41) GBA1CCNT1CSNK2A2CSNK2A1PKM
SCHEMBL1878494 0.89 GBA1 (0.42) GBA1CCNT1CSNK2A2CSNK2A1PKM
SCHEMBL1883595 0.89 CCNT1 (0.45) GBA1CCNT1CSNK2A2CSNK2A1PKM
SCHEMBL1884614 0.89 GBA1 (0.40) GBA1CCNT1CSNK2A2CSNK2A1PKM
SCHEMBL1882039 0.88 CCNT1 (0.41) GBA1CCNT1CSNK2A2CSNK2A1PKM
SCHEMBL1884432 0.86 KDM4E (0.48) GBA1CCNT1CSNK2A2CSNK2A1PKM
SCHEMBL1878017 0.85 GBA1 (0.41) GBA1CCNT1CSNK2A2CSNK2A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
US-7939548-B2 Aminopyridines, e.g.,N-{[6-(aminomethyl)(2-pyridyl)]methyl}(2-{[2-(3-fluorophenyl)ethyl]amino}-5-(3-pyridyl)(3-pyridyl))carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US disclosed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 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 (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-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GBA1 4031/4885CCNT1 3592/4885CSNK2A2 595/4885

“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.