Sugi Predict

Sugi Predict / Compounds / SCHEMBL4440209

SCHEMBL4440209

SCHEMBL4440209

CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(NC(=O)C3CCCCC3)cc2)cc1Cl.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(NC(=O)c3ccncc3)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 2/20 0.43
▸ GSK3B P49841 2/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CCR2 P41597 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ IRAK1 P51617 1/20 0.39
▸ PRKX P51817 1/20 0.39

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
SCHEMBL2105015 0.94 CENPE (0.39) CENPEGSK3BGSK3AKMT2ALMNA
SCHEMBL2103263 0.94 CENPE (0.48) CENPELMNACCR2ALDH1A1MAPT
SCHEMBL3469159 0.91 CENPE (0.51) CENPEKMT2ALMNAMEN1HPGD
SCHEMBL2101923 0.91 CENPE (0.51) CENPEKMT2ALMNAMEN1HPGD
SCHEMBL2106289 0.83 CENPE (0.53) CENPEKMT2AMEN1HPGDALDH1A1
SCHEMBL4561631 0.83 CENPE (0.49) CENPEGSK3BGSK3AKMT2ALMNA
SCHEMBL2105954 0.82 CENPE (0.61) CENPEKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL2104926 0.81 CENPE (0.56) CENPEKMT2ALMNAMEN1HPGD
SCHEMBL4769873 0.81 SCD (0.45) KMT2ALMNAMEN1HPGDSMN1; SMN2
SCHEMBL2101183 0.80 CENPE (0.59) CENPEKMT2AMEN1HPGDSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618981-B2 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INC. (US) 2009-11-17 — — US disclosed
US-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INCORPORATED 2006-05-04 — — 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-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide KIF5B, KIF18A, KIF2C CENPE 522/4885GSK3B 1694/4885GSK3A 1288/4885

“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.