SCHEMBL5114930

SCHEMBL5114930

Cc1nc2c(O)c(CC[C@@H](O)c3ccccc3C(F)(F)F)c(C(=O)N(C)C)cc2n1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3C2B O00750 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CB P42338 1/20 0.31
CXCR2 P25025 1/20 0.30
CFTR P13569 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5114927 1.00 CYP2D6 (0.32) CYP2D6RAB9ASMN1; SMN2PIK3CDPIK3C2B
SCHEMBL5118258 0.89 CTSA (0.33)
SCHEMBL5118253 0.89 CTSA (0.33)
SCHEMBL4962044 0.88 CTSA (0.33) CYP2D6ALDH1A1
SCHEMBL4962050 0.88 CTSA (0.33) CYP2D6ALDH1A1
SCHEMBL4965043 0.88 CTSA (0.33) CYP2D6ALDH1A1
SCHEMBL4964182 0.87 AOC3 (0.34) RAB9AMAPT
SCHEMBL4964179 0.87 AOC3 (0.34) RAB9AMAPT
SCHEMBL4963790 0.87
SCHEMBL4963794 0.87

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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 CYP2D6 23/4885RAB9A 2427/4885SMN1; SMN2 3759/4885

“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.