SCHEMBL4143605

SCHEMBL4143605

O=C(NCCO)c1cccc(-c2cnc(NCCc3ccncc3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
FYN P06241 8/20 0.46
NAMPT P43490 1/20 0.45
CAMK2D Q13557 1/20 0.44
MAP4K4 O95819 1/20 0.44
ROCK2 O75116 2/20 0.44
GRK2 P25098 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KDM5A P29375 1/20 0.43
KDM5C P41229 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ROCK1 Q13464 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL4139867 0.74 TPH1 (0.45) MAP4K4ROCK2KDM4EROCK1
SCHEMBL29818056 0.73 KDM5B (0.53) HIF1AROCK2GRK2RAB9AKDM4E
SCHEMBL4152258 0.73 PIM1 (0.52) NAMPTROCK2CYP3A4CYP2C9ROCK1
SCHEMBL4148108 0.73 FYN (0.41) HIF1AFYNMAP4K4ROCK2RAB9A
SCHEMBL16495488 0.72 RAB9A (0.59) HIF1ANAMPTROCK2RAB9AKDM4E
SCHEMBL16495497 0.72 HPGDS (0.55) HIF1ANAMPTROCK2RAB9ACYP3A4
SCHEMBL1331796 0.70 RAB9A (0.64) HIF1AROCK2RAB9AKDM4EHDAC2
SCHEMBL16495906 0.70 HPGDS (0.64) HIF1ANAMPTRAB9AKDM4EKDM5A
SCHEMBL4139805 0.70 FYN (0.56) FYNKDM4ECYP3A4CYP2C9
SCHEMBL4147501 0.70 CCNT1 (0.46) FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT HIF1A 2872/4885FYN 114/4885NAMPT 2610/4885

“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.