SCHEMBL1588641

SCHEMBL1588641

NC[C@H]1CCN(c2ccnc(Cl)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 1/20 0.55
▸ PTPN11 Q06124 3/20 0.43
▸ HTR7 P34969 2/20 0.42
▸ SYK P43405 1/20 0.42
▸ HRH4 Q9H3N8 5/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ DKK1 O94907 1/20 0.40
▸ LOX P28300 1/20 0.39
▸ LOXL3 P58215 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ TOP1 P11387 1/20 0.39
▸ PRKCQ Q04759 1/20 0.38

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
SCHEMBL19458854 1.00 BPTF (0.55) BPTFPTPN11HTR7SYKHRH4
SCHEMBL2272239 0.77 HTR3E (0.47) HTR7HRH4DKK1
Hydrochloric Acid SCHEMBL2272152 0.76 HTR3E (0.46) HTR7HRH4DKK1
Hydrochloric Acid SCHEMBL16684961 0.76 HTR3E (0.46) HTR7HRH4DKK1
SCHEMBL23174122 0.75 DKK1 (0.45) BPTFPTPN11SYKHRH4PIM1
SCHEMBL1588643 0.74 HRH4 (0.66) HRH4
SCHEMBL26684538 0.74 HRH4 (0.45) HTR7HRH4
SCHEMBL1588660 0.74 HRH4 (0.66) HRH4
SCHEMBL23152497 0.74 HTR7 (0.46) HTR7HRH4LOXLOXL3LOXL2
SCHEMBL22886404 0.74 LDHA (0.49) BPTFHRH4PIM1DKK1

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-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 — — US disclosed
US-9732087-B2 Diamino-pyridine, pyrimidine, and pyridazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-15 — — US disclosed
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2014-12-04 — — US disclosed
US-8841287-B2 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-23 — — US disclosed
EP-2315521-B1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 — — EP disclosed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 — — 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 (3 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-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH1 BPTF 663/4885PTPN11 1281/4885HTR7 150/4885
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor HRH4, HRH3, HRH2 BPTF 667/4885PTPN11 1369/4885HTR7 147/4885
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH2 BPTF 667/4885PTPN11 1369/4885HTR7 147/4885

“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.

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