SCHEMBL4317698

SCHEMBL4317698

CC(C)C(NCC(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1nc2cnccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
RAD1 O60671 1/20 0.33
MAPT P10636 1/20 0.33
CFTR P13569 1/20 0.33
APEX1 P27695 1/20 0.33
CASP6 P55212 1/20 0.33
RAD51 Q06609 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
GOPC Q9HD26 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
PDE1C Q14123 4/20 0.33
CACNA2D1 P54289 1/20 0.33
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33
KDM4C Q9H3R0 2/20 0.32

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
SCHEMBL4317703 1.00 HIF1A (0.35) HIF1AALDH1A1KDM4EKMT2ARAD1
SCHEMBL4317700 1.00 HIF1A (0.35) HIF1AALDH1A1KDM4EKMT2ARAD1
SCHEMBL4288291 0.88 KIF11 (0.42) KDM4ETDP1PDE1CCYP2C19
SCHEMBL5062358 0.85 KIF11 (0.38) KDM4EKMT2AMAPTPDE1CLMNA
SCHEMBL5067454 0.85 KIF11 (0.38) KDM4EKMT2AMAPTPDE1CLMNA
SCHEMBL5067455 0.85 KIF11 (0.38) KDM4EKMT2AMAPTPDE1CLMNA
SCHEMBL4327594 0.80 KIF11 (0.45) CYP2C19
SCHEMBL4327589 0.80 KIF11 (0.45) CYP2C19
SCHEMBL4322898 0.80 KIF11 (0.45) CYP2C19
SCHEMBL13577682 0.73 ALDH1A1 (0.47) HIF1AALDH1A1KDM4EKMT2ARAD1

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-7632839-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-12-15 US disclosed
US-20080139586-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-06-12 US disclosed
EP-1855664-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006078575-A2 FLUORINATED AMINOALKYL-4-OXO-3,4-DIHYDROPYRIDO[3,4- D] PYRIMIDINES AS INHIBITORS OF MITOTIC KINESINS MERCK & CO., INC. (US) 2006-07-27 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-20080139586-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIFC1 HIF1A 4178/4885ALDH1A1 2486/4885KDM4E 473/4885

“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.