SCHEMBL18196102

SCHEMBL18196102

CC(CN)CC(C)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
CA7 P43166 2/20 0.47
CYP2D6 P10635 1/20 0.43
CTSK P43235 9/20 0.42
CTSS P25774 4/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
CAPN1 P07384 1/20 0.37
AAK1 Q2M2I8 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
SCHEMBL12523040 1.00 CA2 (0.47) CA2CA1CA7CYP2D6CTSK
SCHEMBL86157 0.85 CA2 (0.53) CA2CA1CA7CYP2D6CTSK
SCHEMBL272661 0.85 CA2 (0.53) CA2CA1CA7CYP2D6CTSK
SCHEMBL84553 0.85 CA2 (0.53) CA2CA1CA7CYP2D6CTSK
SCHEMBL23125479 0.85 CA1 (0.46) CA2CA1CA7CYP2D6CTSK
SCHEMBL22404435 0.84 CA1 (0.49) CA2CA1CA7CYP2D6CTSK
SCHEMBL16569009 0.84 CA1 (0.49) CA2CA1CA7CYP2D6CTSK
Hydrochloric Acid SCHEMBL10594711 0.84 CA2 (0.51) CA2CA1CA7CYP2D6CTSK
Hydrochloric Acid SCHEMBL29408471 0.84 CA2 (0.51) CA2CA1CA7CYP2D6CTSK
Hydrochloric Acid SCHEMBL29197256 0.84 CA2 (0.51) CA2CA1CA7CYP2D6CTSK

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-20160317508-A1 Fused Amino Pyridines for the Treatment of Lung Cancer CURIS INC (US) 2016-11-03 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-20160317508-A1 Fused Amino Pyridines for the Treatment of Lung Cancer IDH2, IDH1, SLC1A2 CA2 1885/4885CA1 653/4885CA7 922/4885

“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.