SCHEMBL2990501

SCHEMBL2990501

Oc1ccccc1-c1nc2ccccn2c1NCc1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SALL4 Q9UJQ4 1/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
GAA P10253 5/20 0.55
MAPT P10636 4/20 0.55
PLAU P00749 5/20 0.53
NR1H4 Q96RI1 2/20 0.51
SIRT1 Q96EB6 1/20 0.49
HPGD P15428 4/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TRIM24 O15164 1/20 0.45

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
SCHEMBL2982183 0.87 GAA (0.62) KDM4EALDH1A1GAAMAPTPLAU
SCHEMBL2992175 0.85 SIRT1 (0.54) PLAUNR1H4SIRT1
SCHEMBL2987914 0.85 NR1H4 (0.56) SALL4KDM4EALDH1A1GAAMAPT
SCHEMBL2988125 0.84 NR1H4 (0.54) KDM4EALDH1A1GAAMAPTPLAU
SCHEMBL2982216 0.84 SIRT1 (0.68) GAAMAPTPLAUNR1H4SIRT1
SCHEMBL2992416 0.84 KDM4E (0.66) SALL4KDM4EALDH1A1GAAMAPT
SCHEMBL2992286 0.82 NR1H4 (0.53) PLAUNR1H4SIRT1TRIM24TRIM33
SCHEMBL2979539 0.81 PLAU (0.54) PLAUNR1H4SIRT1TRIM24TRIM33
SCHEMBL2992120 0.81 NR1H4 (0.52) PLAUNR1H4SIRT1
SCHEMBL2993500 0.81 NR1H4 (0.52) PLAUNR1H4SIRT1

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 SALL4 4045/4885KDM4E 4444/4885ALDH1A1 3165/4885

“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.