SCHEMBL4028286

SCHEMBL4028286

CCC(NCCN(C)C)c1nc2c(c(=O)n1Cc1ccccc1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PABPC1 P11940 1/20 0.43
EIF4H Q15056 1/20 0.43
HRH3 Q9Y5N1 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
RAD52 P43351 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KIF11 P52732 1/20 0.38
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
RCE1 Q9Y256 1/20 0.37
HRH2 P25021 1/20 0.37

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
SCHEMBL6514365 0.86 MEN1 (0.43) MEN1KMT2APABPC1EIF4HHPGD
SCHEMBL12454692 0.82 CACNA2D1 (0.48) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL6516746 0.79 POLB (0.39) MEN1KMT2AKDM4EALDH1A1KIF11
SCHEMBL6525429 0.78 PDE4A (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4025047 0.78 HPGD (0.47) MEN1KMT2AHPGDMAPTKDM4E
SCHEMBL5100270 0.78 KIF11 (0.51) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL5100445 0.78 KIF11 (0.62) KIF11
SCHEMBL5555016 0.78 PDE4A (0.41) MEN1KMT2AKDM4EKIF11POLB
SCHEMBL5356314 0.78 KIF11 (0.40) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL3838937 0.77 KIF11 (0.40) MEN1KMT2AMAPTNPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551812-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-04 EP disclosed
EP-1551812-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-04 EP disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-20060189630-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 US disclosed
EP-1551812-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-04 EP disclosed
EP-1551812-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-07-13 EP disclosed
US-20050107404-A1 Mitotic kinesin inhibitors FRALEY MARK E (US) 2005-05-19 US disclosed
WO-2003049678-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 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 (2 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-20060189630-A1 Mitotic kinesin inhibitors KIF5B, KIF18B, KIF18A MEN1 2624/4885KMT2A 720/4885PABPC1 1326/4885
US-20050107404-A1 Mitotic kinesin inhibitors KIF5B, KIF18B, KIF18A MEN1 2624/4885KMT2A 720/4885PABPC1 1326/4885

“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.