SCHEMBL2989783

SCHEMBL2989783

COc1cccc(-c2nc3ccccn3c2NCc2cccc(Cl)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TP53 P04637 1/20 0.56
PLAU P00749 4/20 0.52
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 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
SCHEMBL2989998 0.87 NR1H4 (0.66) NR1H4L3MBTL1CASP3SENP8SENP7
SCHEMBL2986370 0.85 CASP3 (0.63) NR1H4L3MBTL1CASP3SENP8SENP7
SCHEMBL2977931 0.85 PLAU (0.68) NR1H4L3MBTL1CASP3SENP8SENP7
SCHEMBL2979969 0.83 KDM4E (0.66) NR1H4L3MBTL1CASP3SENP8SENP7
SCHEMBL2985937 0.81 L3MBTL1 (0.67) NR1H4L3MBTL1CASP3SENP8SENP7
SCHEMBL2977653 0.81 CASP3 (0.67) NR1H4L3MBTL1CASP3SENP8SENP7
SCHEMBL20889288 0.80 NR1H4 (0.57) NR1H4L3MBTL1CASP3SENP8SENP7
SCHEMBL2992308 0.79 NR1H4 (0.58) NR1H4L3MBTL1CASP3SENP8SENP7
SCHEMBL1971979 0.79 NR1H4 (0.74) NR1H4L3MBTL1KDM4EALDH1A1GAA
SCHEMBL20889508 0.78 NR1H4 (0.57) NR1H4L3MBTL1CASP3SENP8SENP7

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 4747/4885L3MBTL1 2140/4885CASP3 2997/4885

“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.