SCHEMBL2990394

SCHEMBL2990394

c1csc(-c2nc3ccccn3c2NC2CCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
GAA P10253 3/20 1.00
KDM4E B2RXH2 3/20 1.00
GFER P55789 1/20 1.00
MAPT P10636 2/20 0.69
MAPK1 P28482 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
RAB9A P51151 1/20 0.69
ALOX5 P09917 2/20 0.64
ADORA1 P30542 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
TRIM33 Q9UPN9 3/20 0.58
TRIM24 O15164 2/20 0.58
NR1H4 Q96RI1 1/20 0.58
SALL4 Q9UJQ4 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL20889674 0.85 GAA (0.74) ALDH1A1GAAKDM4EGFERMAPT
SCHEMBL5165984 0.84 ALDH1A1 (0.96) ALDH1A1GAAKDM4EGFERMAPT
SCHEMBL7975156 0.81 ADORA1 (0.81) ALDH1A1GAAKDM4EGFERMAPT
SCHEMBL7977482 0.81 ADORA1 (0.76) ALDH1A1GAAKDM4EGFERMAPT
SCHEMBL6643063 0.81 ALDH1A1 (0.67) ALDH1A1GAAKDM4EGFERMAPT
SCHEMBL1966039 0.81 ALDH1A1 (0.67) ALDH1A1GAAKDM4EGFERMAPT
SCHEMBL2986663 0.80 ADORA1 (0.79) ALDH1A1GAAKDM4EGFERMAPT
SCHEMBL1967802 0.79 ALDH1A1 (0.65) ALDH1A1GAAKDM4EGFERMAPT
SCHEMBL1970733 0.79 ALDH1A1 (0.65) ALDH1A1GAAKDM4EGFERMAPT
SCHEMBL13464359 0.77 SALL4 (0.64) ALDH1A1GAAKDM4EGFERMAPT

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
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

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 ALDH1A1 3165/4885GAA 820/4885KDM4E 4444/4885

“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.