SCHEMBL13932848

SCHEMBL13932848

COC(=O)[C@H]1CC(C(=O)OC(C)(C)C)CC[C@H]1N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ JAK1 P23458 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL13953179 1.00 BTK (0.37) BTKHRH3CHRM2CHRM4CHRM3
SCHEMBL8343602 0.87 CHRNB2 (0.40) CHRM2CHRM4CHRM3CYP3A4CYP1A2
SCHEMBL30684661 0.82 HRH3 (0.37) BTKHRH3CHRM2CHRM4CHRM3
SCHEMBL3640335 0.81 SMN1; SMN2 (0.42) BTKHRH3CHRM2CHRM3SMN1; SMN2
SCHEMBL3646231 0.81 SMN1; SMN2 (0.42) BTKHRH3CHRM2CHRM3SMN1; SMN2
SCHEMBL4228795 0.81 SMN1; SMN2 (0.42) BTKHRH3CHRM2CHRM3SMN1; SMN2
SCHEMBL2174895 0.81 BTK (0.49) BTKHRH3CHRM2CHRM4CHRM3
Ammonia Solution, Strong SCHEMBL5902021 0.80 ALDH1A1 (0.41) KMT2ACYP3A4CYP2D6TSHR
SCHEMBL1296976 0.79 HRH3 (0.41) BTKHRH3CHRM2CHRM3JAK1
SCHEMBL31142979 0.79 BTK (0.33) BTKHRH3

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-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 — — 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-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 BTK 253/4885HRH3 1228/4885CHRM2 4624/4885

“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.

Send feedback