SCHEMBL15907151

SCHEMBL15907151

CC(C)(C)n1cnc2cc(F)c(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
GGPS1 O95749 1/20 0.40
FDPS P14324 1/20 0.40
GAA P10253 3/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
IDO1 P14902 1/20 0.37

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
SCHEMBL16154685 0.78 POLB (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL15907140 0.78 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL19848135 0.78 MAPK13 (0.41) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22883424 0.77 MAPT (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL6867676 0.74 CHRNB2 (0.45) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL20253184 0.73 MAPT (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL19911318 0.72 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL18136606 0.72 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL19915937 0.72 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL23042573 0.70 GAA (0.43) NPC1RAB9ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 NPC1 3370/4885RAB9A 1864/4885SMN1; SMN2 2627/4885

“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.