Sugi Predict

Sugi Predict / Compounds / SCHEMBL2631398

SCHEMBL2631398

SCHEMBL2631398

C=C(C)c1ncc(-c2ccc(CCNC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 1/20 0.40
▸ PSEN1 P49768 2/20 0.40
▸ PSEN2 P49810 2/20 0.40
▸ APH1B Q8WW43 2/20 0.40
▸ NCSTN Q92542 2/20 0.40
▸ APH1A Q96BI3 2/20 0.40
▸ PSENEN Q9NZ42 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CENPE Q02224 1/20 0.39
▸ KIFC1 Q9BW19 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38

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
SCHEMBL2617277 0.85 KIFC1 (0.41) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL14050195 0.83 CENPE (0.62) KMT2ACENPEKIFC1TP53ROCK2
SCHEMBL2617282 0.77 GAA (0.49) GCGRMEN1KMT2ACENPENPC1
SCHEMBL2617281 0.76 GAA (0.45) GCGRMEN1KMT2ACENPENPC1
SCHEMBL14531324 0.75 NPC1 (0.47) GCGRMEN1KMT2ACENPENPC1
SCHEMBL2617280 0.75 GAA (0.47) GCGRMEN1KMT2ACENPEKIFC1
SCHEMBL10269444 0.69 CENPE (0.39) GCGRCENPEKIFC1NPC1RAB9A
SCHEMBL2617187 0.69 CENPE (0.63) KMT2ACENPEKIFC1TP53WDR5
SCHEMBL14449510 0.69 POLB (0.52) MEN1KMT2ACENPERAB9AL3MBTL1
SCHEMBL2106343 0.67 NPC1 (0.56) MEN1KMT2ACENPENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 — — US disclosed
US-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 — — US disclosed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 — — US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 — — US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 — — 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 (3 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 GCGR 4790/4885PSEN1 1993/4885PSEN2 1429/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 GCGR 4782/4885PSEN1 1820/4885PSEN2 1321/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 GCGR 4790/4885PSEN1 1993/4885PSEN2 1429/4885

“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.