SCHEMBL3208792

SCHEMBL3208792

CC(=O)N1CCC(c2c(N)nc(N)nc2N2CCN(C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.40
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL606223 0.83 HRH4 (0.52) HRH4
SCHEMBL606789 0.81 HRH4 (0.51) HRH4
SCHEMBL605182 0.81 HRH4 (0.51) HRH4
SCHEMBL3188892 0.77 UBE2M (0.51) KDM4E
SCHEMBL5463788 0.74 KDM4E (0.47) CYP1A2TDP1KDM4E
SCHEMBL3264107 0.70 HRH4 (0.41) HRH4CYP1A2TDP1
SCHEMBL603861 0.70 HRH4 (0.42) HRH4
SCHEMBL604546 0.69 HRH4 (0.44) HRH4
SCHEMBL5467834 0.69 KDM4E (0.46) KDM4E
SCHEMBL1776093 0.69 HRH4 (0.47) HRH4

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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 HRH4 1/4885CYP1A2 515/4885TDP1 3142/4885

“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.