SCHEMBL27095285

SCHEMBL27095285

Cc1nc(NC2CC3CCC(C2)N3C)ncc1-c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 8/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ MAPK14 Q16539 9/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ ATAD2 Q6PL18 1/20 0.39
▸ MAPK9 P45984 3/20 0.38
▸ MAPK10 P53779 3/20 0.38
▸ GAK O14976 1/20 0.38
▸ RPS6KA4 O75676 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ MAPK1 P28482 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
Hydrochloric Acid SCHEMBL30838098 0.99 MAPK8 (0.40) MAPK8CHRM1SLC6A2SLC6A4MAPK14
SCHEMBL30837994 0.82 MAPK8 (0.39) MAPK8MAPK14MAPK9MAPK10GAK
Hydrochloric Acid SCHEMBL30838027 0.81 MAPK8 (0.39) MAPK8MAPK14MAPK9MAPK10GAK
SCHEMBL30838096 0.79 CDK2 (0.40) MAPK8MAPK14MAPK9MAPK10GAK
SCHEMBL24288069 0.74 ACKR3 (0.36) MAPK8ALDH1A1DPP4
SCHEMBL24288096 0.74 RPS6KA3 (0.44) MAPK8MAPK14MAPK9MAPK10GAK
SCHEMBL24288152 0.74 RPS6KA3 (0.47) MAPK8MAPK14RPS6KA3PSEN1PSEN2
SCHEMBL24288090 0.72 HRH4 (0.45) —
Hydrochloric Acid SCHEMBL30838015 0.72 HRH4 (0.45) —
SCHEMBL27095187 0.72 CHEK1 (0.38) SLC6A2SLC6A4MAPK1SCN9A

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 claimed
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 MAPK8 4241/4885CHRM1 4/4885SLC6A2 234/4885

“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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