SCHEMBL209925

SCHEMBL209925

COc1ccc2nc(N(C=O)OCCN(NCc3ccccc3Cl)C(C)=O)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.51
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GHSR Q92847 2/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL214821 0.91 CSNK1D (0.43) CSNK1DNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL213647 0.88 GHSR (0.41) CSNK1DNPC1RAB9AGHSRMAPT
SCHEMBL209978 0.88 CSNK1D (0.49) CSNK1DMAOBDYRK1A
SCHEMBL210169 0.85 RAD52 (0.41) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL212267 0.81 HPGD (0.36) CSNK1DNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2843053 0.80 CSNK1D (0.42) CSNK1DGHSRMAPTSMN1; SMN2LMNA
SCHEMBL211174 0.78 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2PKMMAPK1
SCHEMBL4347050 0.78 MAPT (0.38) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL4350654 0.77 CSNK1D (0.43) CSNK1DNPC1RAB9AGHSRSMN1; SMN2
SCHEMBL209578 0.76 ROCK2 (0.35) CSNK1DNPC1RAB9ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CSNK1D 754/4885NPC1 4684/4885RAB9A 2065/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885NPC1 4684/4885RAB9A 2065/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885NPC1 4684/4885RAB9A 2065/4885

“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.