SCHEMBL3207804

SCHEMBL3207804

COc1ccc(CNc2nc(C3CCCCC3)cc(N3CCN(C4CC4)CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.53
HRH1 P35367 1/20 0.53
TLR7 Q9NYK1 4/20 0.49
TLR9 Q9NR96 4/20 0.49
HRH3 Q9Y5N1 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GALR1 P47211 1/20 0.43
GALR2 O43603 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
PDE2A O00408 1/20 0.42
TSHR P16473 1/20 0.41
HTR6 P50406 2/20 0.41

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
Formic Acid SCHEMBL3198449 0.86 HRH4 (0.44) HRH4HRH1TLR7TLR9HRH3
SCHEMBL3210927 0.82 HRH4 (0.57) HRH4HRH1TDP1
SCHEMBL14503382 0.71 GBA1 (0.49) TDP1GALR2ALDH1A1PDE2ATSHR
SCHEMBL3199403 0.70 HRH4 (0.71) HRH4HRH3
SCHEMBL3200421 0.70 HRH3 (0.50) HRH4HRH3HTR6
SCHEMBL9885845 0.70 CXCR4 (0.51) ALDH1A1KMT2AMEN1CYP1A2CYP2D6
SCHEMBL9885841 0.70 CXCR4 (0.51) ALDH1A1KMT2AMEN1CYP1A2CYP2D6
SCHEMBL9884693 0.70 CXCR4 (0.51) ALDH1A1KMT2AMEN1CYP1A2CYP2D6
SCHEMBL9884654 0.68 CXCR4 (0.51) HRH4
SCHEMBL9884669 0.68 CXCR4 (0.51) 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 6 patents. 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 claimed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP claimed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO claimed
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
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 HRH4 1/4885HRH1 9/4885TLR7 1176/4885

“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.