SCHEMBL2988832

SCHEMBL2988832

Oc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2NCc2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.68
PLAU P00749 3/20 0.52
ATM Q13315 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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 0.90 NR1H4 (0.65) NR1H4PLAUKDM4EALDH1A1GAA
SCHEMBL2977922 0.86 GAA (0.62) NR1H4PLAUATMKDM4EALDH1A1
SCHEMBL2988806 0.86 NR1H4 (0.80) NR1H4GAAMAPT
SCHEMBL2992416 0.85 KDM4E (0.66) NR1H4PLAUKDM4EALDH1A1GAA
SCHEMBL2986724 0.84 NR1H4 (0.58) NR1H4PLAUATMKDM4EALDH1A1
SCHEMBL2990539 0.83 NR1H4 (0.57) NR1H4PLAUKDM4EALDH1A1GAA
SCHEMBL2984269 0.81 NR1H4 (0.72) NR1H4ATMKDM4EALDH1A1GAA
SCHEMBL2987066 0.78 KDM4E (0.69) NR1H4PLAUKDM4EALDH1A1GAA
SCHEMBL2982973 0.77 ALDH1A1 (0.68) NR1H4ATMKDM4EALDH1A1GAA
SCHEMBL2987957 0.76 ALDH1A1 (0.54) NR1H4PLAUATMKDM4EALDH1A1

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 NR1H4 4747/4885PLAU 2493/4885ATM 1696/4885

“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.