SCHEMBL10220317

SCHEMBL10220317

CC(C)(C)c1n[nH]c2ccc(CC(F)(F)F)cc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 10/20 0.35
▸ MAP2K4 P45985 2/20 0.35
▸ GRM4 Q14833 6/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ MAPKAPK3 Q16644 1/20 0.32
▸ MAPK6 Q16659 1/20 0.32
▸ GSK3B P49841 2/20 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
SCHEMBL12867069 0.82 NTRK1 (0.35) NTRK1MAP2K4GRM4MAPK1MAPKAPK2
SCHEMBL12031395 0.80 JAK2 (0.50) MAPK1MAPKAPK2GSK3B
SCHEMBL10271985 0.79 NTRK1 (0.36) NTRK1MAP2K4GRM4MAPK1MAPKAPK2
SCHEMBL10220250 0.76 MAP2K4 (0.54) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL12881241 0.76 NPC1 (0.37) NTRK1MAP2K4GRM4MAPK1MAPKAPK2
SCHEMBL10220232 0.76 ITK (0.43) MAP2K4GSK3B
SCHEMBL19872122 0.75 NTRK1 (0.34) NTRK1MAP2K4GRM4
SCHEMBL21018486 0.74 KIF11 (0.47) NTRK1MAP2K4GRM4MAPK1MAPKAPK2
SCHEMBL12303177 0.74 MAP2K4 (0.50) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL27955206 0.74 HAO1 (0.53) NTRK1MAP2K4MAPK1MAPKAPK3MAPK6

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-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 — — 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-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NTRK1 178/4885MAP2K4 4595/4885GRM4 139/4885

“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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