SCHEMBL4930710

SCHEMBL4930710

NC1N=CC=CC1(N)Cc1cc(Br)ccc1OCCN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LTA4H P09960 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HRH1 P35367 3/20 0.36
▸ DRD1 P21728 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ DRD5 P21918 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ CACNA1F O60840 2/20 0.36
▸ CACNA1D Q01668 2/20 0.36
▸ CACNA1S Q13698 2/20 0.36
▸ CACNA1C Q13936 2/20 0.36
▸ DRD2 P14416 1/20 0.35

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
SCHEMBL4939302 0.82 LMNA (0.41) MEN1KMT2AKDM4EALDH1A1CCR5
SCHEMBL4934637 0.82 LTA4H (0.43) LTA4HKDM4EHTR1B
SCHEMBL4938851 0.82 CHRNB2 (0.41) LTA4HHTR1B
SCHEMBL4940521 0.79 KMT2A (0.46) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL4938660 0.78 CCR5 (0.45) ALDH1A1CCR5SMN1; SMN2HTT
SCHEMBL4938952 0.74 MEN1 (0.45) MEN1KMT2AALDH1A1CCR5SMN1; SMN2
SCHEMBL4484633 0.74 MEN1 (0.57) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL4481567 0.72 MEN1 (0.57) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL4478052 0.72 MEN1 (0.61) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL5248494 0.70 MEN1 (0.47) MEN1KMT2ALTA4HPTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 — — 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 MEN1 3533/4885KMT2A 1883/4885LTA4H 1470/4885

“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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