SCHEMBL2979689

SCHEMBL2979689

CCc1ccn2c(NCc3cccc(Cl)c3)c(-c3ccccc3O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.54
SIRT1 Q96EB6 1/20 0.50
GAA P10253 4/20 0.48
MAPT P10636 4/20 0.48
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLAU P00749 3/20 0.41
SALL4 Q9UJQ4 2/20 0.40
ATM Q13315 2/20 0.40

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
SCHEMBL2987088 0.91 SIRT1 (0.51) NR1H4SIRT1GAAMAPTCASP3
SCHEMBL2986401 0.90 MAPT (0.60) NR1H4SIRT1GAAMAPTCASP3
SCHEMBL2979977 0.87 SIRT1 (0.51) NR1H4SIRT1GAAMAPTCASP3
SCHEMBL2988118 0.87 L3MBTL1 (0.56) NR1H4SIRT1GAAMAPTCASP3
SCHEMBL2988790 0.86 PLAU (0.50) NR1H4SIRT1GAAMAPTCASP3
SCHEMBL2983214 0.86 SIRT1 (0.48) NR1H4SIRT1GAAMAPTCASP3
SCHEMBL2987914 0.84 NR1H4 (0.56) NR1H4SIRT1GAAMAPTKDM4E
SCHEMBL2984337 0.83 MAPT (0.51) NR1H4SIRT1GAAMAPTCASP3
SCHEMBL2990971 0.82 MAPT (0.57) NR1H4SIRT1GAAMAPTTP53
SCHEMBL2989981 0.81 GAA (0.64) NR1H4SIRT1GAAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US claimed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US disclosed
WO-2008016648-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-20100173930-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 NR1H4 4747/4885SIRT1 2093/4885GAA 820/4885

“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.