SCHEMBL31428837

SCHEMBL31428837

Cc1ccc2cc(CN3CCN(C4COC4)CC3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 1/20 0.45
CHKA P35790 1/20 0.40
TSHR P16473 1/20 0.40
HTR1A P08908 5/20 0.39
KMT2A Q03164 2/20 0.39
HTR1D P28221 3/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ACHE P22303 1/20 0.39
HTR1B P28222 2/20 0.38
CYP1A2 P05177 1/20 0.38
TRPV6 Q9H1D0 2/20 0.38
MEN1 O00255 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
SCHEMBL31428496 0.82 HRH3 (0.38) HRH3CHKATSHRKMT2APDCD1LG2
SCHEMBL25728358 0.82 HRH3 (0.49) HRH3KCNH2CHKATSHRACHE
SCHEMBL31428715 0.82 HRH3 (0.49) HRH3KCNH2TSHRCYP1A2
SCHEMBL31428922 0.81 CHKA (0.60) HRH3KCNH2CHKATSHRHTR1A
SCHEMBL25728287 0.80 CHKA (0.59) HRH3KCNH2CHKAHTR1AKMT2A
SCHEMBL27318436 0.80 HRH3 (0.53) HRH3KCNH2CHKAKMT2ACYP1A2
SCHEMBL31428611 0.79 HRH3 (0.47) HRH3KCNH2ACHE
SCHEMBL30163574 0.79 HRH3 (0.42) HRH3KCNH2HTR1ACYP1A2
SCHEMBL24694886 0.77 HRH3 (0.47) HRH3KCNH2KMT2ACYP1A2MEN1
SCHEMBL30163474 0.74 KMT2A (0.56) HRH3KCNH2CHKAKMT2ACYP1A2

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 2324/4885KCNH2 3703/4885CHKA 3019/4885

“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.