SCHEMBL3609687

SCHEMBL3609687

CC(=O)NCCCNc1nnccc1-c1cc(Nc2cccc(Cl)c2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
CDK5 Q00535 1/20 0.49
PAX8 Q06710 1/20 0.49
CDK5R1 Q15078 1/20 0.49
POLB P06746 1/20 0.48
CDK1 P06493 2/20 0.47
EGFR P00533 4/20 0.44
ERBB3 P21860 2/20 0.44
CYP1A2 P05177 2/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TSHR P16473 1/20 0.40
KDR P35968 4/20 0.40
ALDH1A1 P00352 1/20 0.40
TNNI3K Q59H18 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
SCHEMBL3617959 0.89 KDM4E (0.51) KDM4EMAPTMAPK1NPC1XBP1
SCHEMBL3598884 0.87 CDK1 (0.46) KDM4EMAPTMAPK1NPC1XBP1
SCHEMBL3611146 0.84 KDR (0.59) KDM4EMAPTMAPK1NPC1XBP1
SCHEMBL3611150 0.84 CDK2 (0.50) KDM4EMAPTMAPK1NPC1XBP1
SCHEMBL3608716 0.83 CDK1 (0.50) KDM4EMAPTMAPK1NPC1XBP1
SCHEMBL3614938 0.76 CDK1 (0.47) KDM4EMAPTMAPK1NPC1XBP1
SCHEMBL3608990 0.73 MAPT (0.52) KDM4EMAPTMAPK1NPC1XBP1
SCHEMBL3605169 0.73 CDK2 (0.51) KDM4EMAPTMAPK1NPC1XBP1
SCHEMBL3602339 0.73 CDK1 (0.51) MAPTMAPK1NPC1XBP1HTT
SCHEMBL3595254 0.73 KDR (0.55) KDM4EMAPTMAPK1NPC1XBP1

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-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 KDM4E 3859/4885MAPT 1424/4885MAPK1 4817/4885

“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.