SCHEMBL27095173

SCHEMBL27095173

COc1ccc(F)c(-c2cnc(NCC3CCCN(C)C3)nc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 12/20 0.50
▸ JAK1 P23458 3/20 0.48
▸ HRH4 Q9H3N8 3/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39

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
Hydrochloric Acid SCHEMBL30838056 0.99 PRKCQ (0.49) PRKCQJAK1HRH4JAK2JAK3
Hydrochloric Acid SCHEMBL30838083 0.92 PRKCQ (0.49) PRKCQJAK1HRH4JAK2JAK3
SCHEMBL24288100 0.84 PRKCQ (0.47) PRKCQHRH4CCNE1CDK2
SCHEMBL24288092 0.83 JAK1 (0.44) JAK1HRH4JAK2JAK3CCNE1
SCHEMBL24288237 0.83 PRKCQ (0.48) PRKCQHRH4
Hydrochloric Acid SCHEMBL30838074 0.83 JAK1 (0.44) JAK1HRH4JAK2JAK3CCNE1
Hydrochloric Acid SCHEMBL30838055 0.81 PRKCQ (0.40) PRKCQJAK1JAK2JAK3ADORA2A
Hydrochloric Acid SCHEMBL30838021 0.78 JAK1 (0.39) JAK1HRH4JAK2JAK3CCNE1
SCHEMBL24288090 0.77 HRH4 (0.45) PRKCQHRH4
SCHEMBL24288146 0.76 HRH4 (0.42) JAK1HRH4JAK2JAK3ADORA2A

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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 — — 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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 PRKCQ 2066/4885JAK1 3292/4885HRH4 496/4885

“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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