SCHEMBL3843142

SCHEMBL3843142

Cc1ncc(NCC2(C(NC(=O)O)C(C)(C)C)CC2)cc1-c1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.36
RAF1 P04049 18/20 0.34
BRAF P15056 10/20 0.33

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
SCHEMBL3770601 0.91 CCNT1 (0.34) RAF1BRAF
SCHEMBL3772521 0.83 ABL1 (0.38) ABL1RAF1
SCHEMBL3772476 0.81 ABL1 (0.35) ABL1
SCHEMBL3778331 0.81 SYK (0.31)
SCHEMBL3773171 0.79 AR (0.38)
SCHEMBL3147365 0.78 ABL1 (0.37) ABL1RAF1BRAF
SCHEMBL3843144 0.77 ABL1 (0.34) ABL1RAF1BRAF
SCHEMBL3147370 0.76 ABL1 (0.36) ABL1RAF1BRAF
SCHEMBL3781398 0.76 FFAR4 (0.35) ABL1
SCHEMBL3765793 0.75 ALDH1A1 (0.31)

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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG ABL1 1469/4885RAF1 2398/4885BRAF 2473/4885

“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.