SCHEMBL31428443

SCHEMBL31428443

COCCN1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
DRD3 P35462 8/20 0.48
DRD2 P14416 6/20 0.48
NAMPT P43490 1/20 0.47
KMT2A Q03164 1/20 0.46
KCNA5 P22460 4/20 0.46
HRH3 Q9Y5N1 1/20 0.45
KDM2B Q8NHM5 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL31428462 0.86 PKM (0.51) PKMNPC1RAB9ADRD3DRD2
SCHEMBL30163480 0.86 POLB (0.47) PKMNPC1DRD3DRD2KMT2A
SCHEMBL31428943 0.79 SCN9A (0.41) PKMNPC1RAB9AKMT2AKDM2B
SCHEMBL763421 0.78 KCNA5 (0.70) PKMDRD3DRD2NAMPTKCNA5
SCHEMBL23742769 0.77 HRH3 (0.49) HRH3HPGDTSHR
SCHEMBL30163530 0.77 SCN9A (0.54) KDM2BTLR9TLR8TLR7HPGD
SCHEMBL31428645 0.77 HPGD (0.57) PKMKMT2AHRH3HPGDTSHR
SCHEMBL12835048 0.76 LDHA (0.63) DRD3DRD2NAMPTKCNA5HPGD
SCHEMBL31428637 0.76 HPGD (0.47) NPC1RAB9AKMT2AKDM2BHPGD
SCHEMBL19145557 0.74 DRD3 (0.61) DRD3DRD2NAMPTKCNA5

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 PKM 4478/4885NPC1 3237/4885RAB9A 67/4885

“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.