SCHEMBL22624006

SCHEMBL22624006

Cc1ccccc1CN1CC[C@H](C(C)(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.60
▸ KMT2A Q03164 3/20 0.51
▸ CYP2A13 Q16696 1/20 0.50
▸ CXCR4 P61073 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ DRD4 P21917 1/20 0.47
▸ GBA1 P04062 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL12727214 0.80 HRH1 (0.39) ACHEKMT2ACXCR4ALDH1A1SMN1; SMN2
SCHEMBL12384396 0.80 ACHE (0.57) ACHEALDH1A1CYP3A4SIGMAR1
SCHEMBL14093043 0.80 ACHE (0.57) ACHEALDH1A1CYP3A4SIGMAR1
SCHEMBL15084359 0.80 ACHE (0.81) ACHEKMT2ACYP2A13CXCR4ALDH1A1
SCHEMBL5824435 0.78 ACHE (0.64) ACHEKMT2ACYP2A13CXCR4ALDH1A1
SCHEMBL17968039 0.78 ACHE (0.64) ACHEKMT2ACYP2A13CXCR4ALDH1A1
SCHEMBL14344767 0.78 ACHE (0.64) ACHEKMT2ACYP2A13CXCR4ALDH1A1
Hydrochloric Acid SCHEMBL4227174 0.77 ACHE (0.62) ACHEKMT2ACYP2A13CXCR4ALDH1A1
SCHEMBL12013922 0.76 ACHE (1.00) ACHEKMT2ACYP2A13CXCR4ALDH1A1
SCHEMBL12727225 0.74 PDCD1 (0.39) ACHEALDH1A1GAANPSR1

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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 — — 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 ACHE 4786/4885KMT2A 3048/4885CYP2A13 4557/4885

“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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