SCHEMBL24288146

SCHEMBL24288146

COc1ccc(-c2cnc(NCC3CCCCN3C)nc2C)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.42
▸ POLB P06746 1/20 0.41
▸ JAK1 P23458 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ CHRNB4 P30926 3/20 0.40
▸ CHRNA3 P32297 3/20 0.40
▸ NMT1 P30419 1/20 0.39
▸ CHRNB1 P11230 2/20 0.39
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNB3 Q05901 2/20 0.39
▸ CACNA2D1 P54289 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36

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
SCHEMBL24288092 0.93 JAK1 (0.44) HRH4JAK1JAK2JAK3CHRNB4
Hydrochloric Acid SCHEMBL30838074 0.92 JAK1 (0.44) HRH4JAK1JAK2JAK3CHRNB4
Hydrochloric Acid SCHEMBL30838034 0.89 JAK1 (0.41) HRH4JAK1JAK2JAK3CHRNB4
Hydrochloric Acid SCHEMBL30838029 0.88 POLB (0.39) HRH4POLBJAK1JAK2JAK3
Hydrochloric Acid SCHEMBL30838079 0.87 NMT1 (0.51) HRH4CHRNB4CHRNA3NMT1CHRNB1
SCHEMBL24288142 0.85 HRH4 (0.41) HRH4POLBJAK1JAK2JAK3
Hydrochloric Acid SCHEMBL30838046 0.85 GPR6 (0.37) HRH4POLBJAK1JAK2JAK3
SCHEMBL24288253 0.85 CHRNB4 (0.42) HRH4POLBJAK1JAK2JAK3
Hydrochloric Acid SCHEMBL30837992 0.84 HRH4 (0.40) HRH4POLBJAK1JAK2JAK3
Hydrochloric Acid SCHEMBL30838076 0.84 CHRNB4 (0.42) HRH4POLBJAK1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 — — US disclosed
WO-2022053823-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2022-03-17 — — 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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 HRH4 496/4885POLB 1342/4885JAK1 3292/4885

“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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