SCHEMBL2988604

SCHEMBL2988604

Cc1ccn2c(NC3CCCCC3)c(-c3ccoc3)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.72
ALDH1A1 P00352 7/20 0.69
GAA P10253 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
MAPT P10636 3/20 0.69
GFER P55789 3/20 0.69
KDM4E B2RXH2 2/20 0.66
MAPK1 P28482 2/20 0.66
LMNA P02545 2/20 0.64
TSHR P16473 1/20 0.64
HTT P42858 1/20 0.60
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ADORA1 P30542 1/20 0.58
ATM Q13315 3/20 0.54
BACE1 P56817 1/20 0.53
BRD4 O60885 1/20 0.51
CREBBP Q92793 1/20 0.51

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
SCHEMBL5168342 0.84 ALOX5 (0.82) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2977613 0.84 ALOX5 (1.00) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL5167009 0.83 ALDH1A1 (0.98) ALOX5ALDH1A1GAASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL5167314 0.83 ALOX5 (0.80) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL7083359 0.83 ALOX5 (0.48) ALOX5ALDH1A1GAASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL5169512 0.82 ALOX5 (0.47) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL20889741 0.81 ALOX5 (0.69) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL7083935 0.81 ALOX5 (0.49) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2985882 0.81 ALOX5 (0.84) ALOX5ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2992153 0.81 ALOX5 (0.84) ALOX5ALDH1A1GAASMN1; SMN2MAPT

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 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.