SCHEMBL12490609

SCHEMBL12490609

CC(C)(C)c1nc(-c2ccncc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 2/20 0.54
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
AR P10275 2/20 0.49
CYP19A1 P11511 1/20 0.47
LMNA P02545 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
COMT P21964 1/20 0.44
KIF11 P52732 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR7 P34969 1/20 0.43
GRM1 Q13255 1/20 0.42

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
SCHEMBL12282550 0.85 RAB9A (0.54) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL799900 0.85 ALDH1A1 (0.55) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL13118019 0.82 LTA4H (0.54) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL19625332 0.81 RAB9A (0.58) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL19625300 0.81 RAB9A (0.56) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL19625353 0.81 ATP4A (0.49) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL799889 0.81 RAB9A (0.56) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL533851 0.81 GAA (0.40) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL12282347 0.81 LTA4H (0.58) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL26014382 0.81 RAB9A (0.58) KDM4ERAB9ASMN1; SMN2NPC1KMT2A

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-20140221374-A1 RAF KINASE INHIBITORS RUGA CORPORATION (US) 2014-08-07 US disclosed
EP-2686317-A2 RAF KINASE INHIBITORS Selexagen Therapeutics, Inc. (US) 2014-01-22 EP disclosed
WO-2012125981-A2 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2012-09-20 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-20140221374-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF KDM4E 2852/4885RAB9A 1035/4885SMN1; SMN2 2644/4885

“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.