SCHEMBL2977922

SCHEMBL2977922

Oc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.62
KDM4E B2RXH2 2/20 0.62
CASP1 P29466 1/20 0.62
HTT P42858 1/20 0.62
CASP7 P55210 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NR1H4 Q96RI1 8/20 0.60
MAPT P10636 5/20 0.60
TP53 P04637 3/20 0.60
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
BRD4 O60885 1/20 0.54
PLAU P00749 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
RAB9A P51151 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL2983493 0.91 NR1H4 (0.65) GAAKDM4ECASP1HTTCASP7
SCHEMBL2984269 0.89 NR1H4 (0.72) GAAKDM4ECASP1HTTCASP7
SCHEMBL2988806 0.87 NR1H4 (0.80) GAANR1H4MAPTTP53
SCHEMBL2988832 0.86 NR1H4 (0.68) GAAKDM4EHSD17B10NR1H4MAPT
SCHEMBL2986724 0.85 NR1H4 (0.58) GAAKDM4ECASP1HTTCASP7
SCHEMBL2990539 0.84 NR1H4 (0.57) GAAKDM4ECASP1HTTCASP7
SCHEMBL2987957 0.83 ALDH1A1 (0.54) GAAKDM4ECASP1HTTCASP7
SCHEMBL2982216 0.83 SIRT1 (0.68) GAANR1H4MAPTTP53BRD4
SCHEMBL2992416 0.82 KDM4E (0.66) GAAKDM4EHSD17B10NR1H4MAPT
SCHEMBL2991030 0.80 KDM4E (0.66) GAAKDM4ECASP1HTTCASP7

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-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US 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 GAA 820/4885KDM4E 4444/4885CASP1 4273/4885

“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.