SCHEMBL24229494

SCHEMBL24229494

Cn1c(N2CCc3ccc(OCc4ccccc4)cc3C2)nc2cc(Br)ccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.48
▸ CYP2D6 P10635 4/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CARM1 Q86X55 1/20 0.40
▸ CHRNA7 P36544 2/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ ASIC3 Q9UHC3 1/20 0.40

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
SCHEMBL24229708 0.85 HRH3 (0.43) HRH3HDAC6CYP2D6HRH1CARM1
SCHEMBL24229699 0.79 HRH3 (0.48) HRH3HDAC6CYP2D6HRH1
SCHEMBL24229492 0.75 HRH3 (0.44) HRH3CYP2D6HRH1CARM1
SCHEMBL24229635 0.74 HRH3 (0.41) HRH3CYP2D6HRH1
SCHEMBL29052790 0.74 HRH3 (0.47) HRH3CYP2D6HRH1
SCHEMBL24229758 0.74 HRH3 (0.47) HRH3CYP2D6HRH1
SCHEMBL29052789 0.73 HRH3 (0.48) HRH3CYP2D6HRH1CARM1
SCHEMBL5450398 0.72 HRH3 (1.00) HRH3CYP2D6HRH1NPC1RAB9A
SCHEMBL29474881 0.72 HRH3 (0.70) HRH3CYP2D6HRH1CARM1CHRNA7
SCHEMBL24229756 0.71 HDAC6 (0.56) HRH3HDAC6CYP2D6HRH1

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
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 — — US disclosed
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 — — US disclosed
WO-2022023447-A2 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-02-03 — — WO 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-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS HRH3 3556/4885HDAC6 948/4885CYP2D6 2672/4885

“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.

Send feedback