SCHEMBL2992153

SCHEMBL2992153

Cc1ccn2c(NC3CCCC3)c(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.84
ALDH1A1 P00352 7/20 0.77
GAA P10253 5/20 0.77
MAPT P10636 4/20 0.77
GFER P55789 4/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
KDM4E B2RXH2 3/20 0.69
MAPK1 P28482 2/20 0.69
LMNA P02545 2/20 0.65
TSHR P16473 1/20 0.65
HTT P42858 2/20 0.63
RAB9A P51151 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ADORA1 P30542 1/20 0.61
TP53 P04637 1/20 0.60
ATM Q13315 3/20 0.58
BACE1 P56817 1/20 0.58
CREBBP Q92793 1/20 0.53
HPGD P15428 1/20 0.52

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
SCHEMBL2977613 0.92 ALOX5 (1.00) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL2985882 0.88 ALOX5 (0.84) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL5168342 0.87 ALOX5 (0.82) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL5167009 0.86 ALDH1A1 (0.98) ALOX5ALDH1A1GAAMAPTGFER
Hydrochloric Acid SCHEMBL5167314 0.86 ALOX5 (0.80) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL1965379 0.82 ADORA1 (0.76) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL1967978 0.81 ADORA1 (0.78) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL5164949 0.81 ALDH1A1 (0.66) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL2988604 0.81 ALOX5 (0.72) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL5165535 0.80 GAA (0.74) ALOX5ALDH1A1GAAMAPTGFER

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 ALOX5 3248/4885ALDH1A1 3165/4885GAA 820/4885

“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.