SCHEMBL5806011

SCHEMBL5806011

NCc1cc(N2CCCC2)nc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP5 P51878 2/20 0.39
▸ CASP4 P49662 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ NUDT1 P36639 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 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
SCHEMBL31420669 0.72 HRH4 (0.47) HRH4KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL5806017 0.69 NUDT1 (0.66) HRH4L3MBTL1KMT2ASMN1; SMN2CRHBP
SCHEMBL5789880 0.69 LOXL2 (0.31) —
SCHEMBL31421116 0.68 KMT2A (0.47) HRH4KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL2456126 0.68 PDE10A (0.55) —
SCHEMBL23207442 0.67 PDE10A (0.54) —
Hydrochloric Acid SCHEMBL30152537 0.66 PDE10A (0.52) —
Hydrochloric Acid SCHEMBL23167793 0.66 PDE10A (0.52) —
SCHEMBL13779832 0.65 HRH4 (0.57) HRH4L3MBTL1KMT2ASMN1; SMN2CRHBP
SCHEMBL7022446 0.64 SMN1; SMN2 (0.64) HRH4KMT2ASMN1; SMN2CRHBPCRHR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335906-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2006-09-27 — — EP disclosed
US-6657060-B2 Neuropeptide Y antagonists; treatment of eating disorders such as obesity and hyperphagia HOFFMAN-LA ROCHE INC. 2003-12-02 — — US disclosed
US-20020086858-A1 Pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 — — 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-20020086858-A1 Pyrimidine derivatives NPY1R, NPY5R, NPY4R HRH4 410/4885L3MBTL1 3351/4885KMT2A 3006/4885

“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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