SCHEMBL14928355

SCHEMBL14928355

CCCOc1ncc(N)cc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.46
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAF1 P04049 6/20 0.38
PRKDC P78527 1/20 0.38
PIK3CA P42336 1/20 0.37
DHFR P00374 1/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36
LGMN Q99538 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD11B1 P28845 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL14908735 0.89 BRAF (0.57) BRAFMAPTGAASMN1; SMN2RAF1
SCHEMBL3355188 0.88 KDM1A (0.44) BRAFMAPTGAASMN1; SMN2RAF1
SCHEMBL17585425 0.84 CCR5 (0.46) BRAFMAPTGAASMN1; SMN2RAF1
SCHEMBL10076886 0.83 BRAF (0.44) BRAFMAPTGAASMN1; SMN2RAF1
SCHEMBL17585431 0.81 BRAF (0.60) BRAFRAF1
SCHEMBL14928362 0.79 MAPT (0.48) MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL16094307 0.77 RAF1 (0.56) BRAFRAF1
SCHEMBL16095004 0.76 RAF1 (0.56) BRAFRAF1
SCHEMBL16168981 0.74 KDM4E (0.34) MAPTGAASMN1; SMN2KDM4E
SCHEMBL27883277 0.73 GAA (0.47) MAPTGAASMN1; SMN2RAF1PIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK BRAF 197/4885MAPT 4186/4885GAA 3096/4885

“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.