SCHEMBL2148379

SCHEMBL2148379

O=C(O)c1cccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HSD17B10 Q99714 2/20 0.61
HPGD P15428 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
BRAF P15056 5/20 0.58
MAPK14 Q16539 1/20 0.58
PTGS2 P35354 3/20 0.55
KMT2A Q03164 5/20 0.51
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 3/20 0.48

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
SCHEMBL12461274 0.95 BRAF (0.64) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL16510709 0.86 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL12461320 0.85 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL12461264 0.85 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL12461239 0.85 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL12461260 0.82 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL12461214 0.82 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL12461261 0.82 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL12461340 0.80 ALDH1A1 (0.67) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL12462133 0.80 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO 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-20130040983-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF KDM4E 2358/4885ALDH1A1 2793/4885SMN1; SMN2 3112/4885

“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.