SCHEMBL18289573

SCHEMBL18289573

CC(=O)c1nc(C)c(C(C)(C)C)cc1N

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFTR P13569 13/20 0.47
IKBKB O14920 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.33
MAP4K1 Q92918 1/20 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
SCHEMBL12295752 0.73 CFTR (0.57) CFTRIKBKB
SCHEMBL30951245 0.69 SMN1; SMN2 (0.39) CFTRIKBKBSMN1; SMN2KMT2AMAP4K1
SCHEMBL18293452 0.69 CFTR (0.42) CFTRIKBKBSMN1; SMN2MAP4K1
SCHEMBL14789606 0.69 CFTR (0.60) CFTR
SCHEMBL2153631 0.68 ALDH1A1 (0.43) SMN1; SMN2KMT2A
SCHEMBL28931444 0.67 CFTR (0.33) CFTRKMT2A
SCHEMBL11978271 0.64 CFTR (0.44) CFTRIKBKBSMN1; SMN2
SCHEMBL30259615 0.64 CFTR (0.44) CFTRIKBKBSMN1; SMN2
SCHEMBL21199669 0.64 POLB (0.43) CFTRIKBKBMAP4K1
SCHEMBL28719025 0.64 IDO1 (0.46) CFTRKMT2A

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-20160355480-A1 SUBSTITUTED PYRIDINES AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2016-12-08 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-20160355480-A1 SUBSTITUTED PYRIDINES AND METHOD OF USE CFTR, P2RY1, XDH CFTR 1/4885IKBKB 3376/4885SMN1; SMN2 3575/4885

“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.