SCHEMBL31158079

SCHEMBL31158079

CN1CCN(c2cccc(Nc3cc(Br)cn(C)c3=O)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 6/20 0.43
▸ HTR3E A5X5Y0 4/20 0.43
▸ HTR3B O95264 4/20 0.43
▸ HTR3D Q70Z44 4/20 0.43
▸ HTR3C Q8WXA8 4/20 0.43
▸ MAP4K1 Q92918 1/20 0.41
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ BTK Q06187 4/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HSD17B14 Q9BPX1 1/20 0.36
▸ SYK P43405 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 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
SCHEMBL14913184 1.00 HTR3A (0.43) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1392970 0.83 JAK2 (0.40) BTK
SCHEMBL14913211 0.79 BTK (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29741894 0.79 BTK (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1323108 0.78 XIAP (0.36) BTKADORA2ASYKKDM4EALDH1A1
SCHEMBL16765892 0.78 MAP2K1 (0.33) BTK
SCHEMBL708026 0.77 BTK (0.52) MAP4K1CDK5CDK5R1BTKKCNH2
SCHEMBL16766384 0.75 BTK (0.55) MAP4K1BTKKCNH2EGFR
SCHEMBL16766381 0.75 BTK (0.55) MAP4K1BTKKCNH2EGFR
SCHEMBL1393120 0.74 BTK (0.38) MAP4K1BTKKCNH2KDM4EALDH1A1

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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 — — 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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 HTR3A 1192/4885HTR3E 1679/4885HTR3B 958/4885

“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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