SCHEMBL31428496

SCHEMBL31428496

O=Cc1ccc2cc(CN3CCN(C4COC4)CC3)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.38
CHKA P35790 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
VDR P11473 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ACHE P22303 1/20 0.34
PKM P14618 1/20 0.34
DRD4 P21917 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL24975434 0.86 HRH3 (0.38) HRH3KMT2AMEN1TSHRCHKA
SCHEMBL24977045 0.83 HRH3 (0.45) HRH3TSHRALDH1A1SMN1; SMN2
SCHEMBL31428722 0.83 HRH3 (0.45) HRH3TSHRALDH1A1SMN1; SMN2
SCHEMBL31428837 0.82 HRH3 (0.45) HRH3KMT2AMEN1TSHRCHKA
SCHEMBL31428787 0.80 HRH3 (0.40) HRH3ALDH1A1
SCHEMBL31428922 0.78 CHKA (0.60) HRH3KMT2AMEN1TSHRCHKA
SCHEMBL31428855 0.77 KMT2A (0.47) KMT2AMEN1CHKAALDH1A1
SCHEMBL31428499 0.76 L3MBTL3 (0.45) HRH3TSHR
SCHEMBL31428631 0.75 ALDH1A1 (0.39) KMT2AMEN1TSHRTBK1PDCD1LG2
SCHEMBL24975806 0.75 CHKA (0.38) KMT2AMEN1CHKAVDRACHE

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS HRH3 2324/4885KMT2A 2837/4885MEN1 1712/4885

“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.