SCHEMBL3210565

SCHEMBL3210565

Nc1nc(Cl)cc(CC2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.47
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSP90AA1 P07900 3/20 0.37
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
HRH4 Q9H3N8 4/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
ADCY10 Q96PN6 1/20 0.35
HTR6 P50406 2/20 0.34

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
SCHEMBL5748463 0.93 HSP90AB1 (0.50) HSP90AB1KMT2AKDM4EHSP90AA1CYP2D6
SCHEMBL3209557 0.79 HTR6 (0.36) HRH4HTR6
SCHEMBL3188454 0.78 HTR6 (0.38) HRH4HTR6
SCHEMBL10617507 0.73 HSP90AB1 (0.60) HSP90AB1KMT2AKDM4EHSP90AA1CYP2D6
SCHEMBL4716506 0.72 HRH4 (0.38) HRH4MAPT
SCHEMBL601156 0.72 HRH3 (0.65) HRH4
SCHEMBL4410427 0.71 DHFR (0.33) HRH4HTR6
SCHEMBL7420125 0.71 HSP90AB1 (0.58) HSP90AB1KMT2AKDM4EHSP90AA1CYP2D6
Hydrochloric Acid SCHEMBL10618220 0.71 HSP90AB1 (0.58) HSP90AB1KMT2AKDM4EHSP90AA1CYP2D6
SCHEMBL15103664 0.71 HRH4 (0.40) HRH4MAPT

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 HSP90AB1 3838/4885KMT2A 795/4885KDM4E 1873/4885

“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.