SCHEMBL3209288

SCHEMBL3209288

CN(C)CCNc1cc(Cl)nc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
HRH3 Q9Y5N1 1/20 0.56
HRH4 Q9H3N8 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TLR8 Q9NR97 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
POLA1 P09884 1/20 0.42
DNM2 P50570 6/20 0.42

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
SCHEMBL11689082 0.83 HRH3 (0.44) CYP2D6CYP2C19HRH3HRH4DNM2
SCHEMBL8597545 0.81 CYP2D6 (0.70) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL11446516 0.79 DNM2 (0.46) CYP2D6CYP2C19HRH3HRH4DNM2
SCHEMBL8600881 0.79 TLR8 (0.69) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL2168204 0.78 HRH3 (0.54) CYP2D6CYP2C19HRH3HRH4TLR8
SCHEMBL12605112 0.78 HRH3 (0.54) CYP2C19HRH3HRH4TLR8DNM2
SCHEMBL28845273 0.78 CYP2D6 (0.70) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL8053292 0.78 CYP2D6 (1.00) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL17315544 0.78 CYP2D6 (0.70) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1
SCHEMBL1318375 0.78 CYP2D6 (0.64) CYP2D6CYP2C19HRH4SMN1; SMN2ALDH1A1

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 7 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
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed
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 CYP2D6 300/4885CYP2C19 321/4885HRH3 3/4885

“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.