SCHEMBL19253738

SCHEMBL19253738

O=C(Nc1nc2cnc(C(F)(F)F)cc2s1)c1ccnnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
KCNH2 Q12809 1/20 0.44
LRRK2 Q5S007 3/20 0.44
SCD O00767 2/20 0.44
ALDH1A1 P00352 4/20 0.44
BLM P54132 1/20 0.44
ABL1 P00519 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
HSD17B1 P14061 1/20 0.43
MCL1 Q07820 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 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
SCHEMBL19253769 0.86 SCD (0.63) MEN1KMT2ALRRK2SCDALDH1A1
SCHEMBL19253774 0.85 LRRK2 (0.61) MEN1KMT2ALRRK2SCDABL1
SCHEMBL19253695 0.84 NPC1 (0.59) MEN1KMT2ALRRK2SCDALDH1A1
SCHEMBL19253605 0.83 LRRK2 (0.63) MEN1KMT2AKCNH2LRRK2ALDH1A1
SCHEMBL19253737 0.83 LRRK2 (0.44) MEN1KMT2ARAF1BRAFKCNH2
SCHEMBL19270383 0.83 NPC1 (0.47) MEN1KMT2ASCDALDH1A1BLM
SCHEMBL19253710 0.81 RAB9A (0.47) MEN1KMT2ARAF1BRAFKCNH2
SCHEMBL19253623 0.81 RAF1 (0.43) RAF1BRAFKCNH2LRRK2ALDH1A1
SCHEMBL19253659 0.81 RAB9A (0.65) MEN1KMT2ASCDALDH1A1RAB9A
SCHEMBL19253628 0.80 ABL1 (0.43) MEN1KMT2ARAF1BRAFKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-09-24 US disclosed
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-09-24 US disclosed
US-20180235943-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-08-23 US disclosed
US-9895358-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-02-20 US disclosed
US-9895358-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-02-20 US disclosed
WO-2017147312-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2017-08-31 WO disclosed
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-08-24 US disclosed
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-08-24 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 (3 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-20180235943-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF MEN1 4720/4885KMT2A 615/4885RAF1 4079/4885
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy SMN1; SMN2, MUSK, MYOF MEN1 4720/4885KMT2A 615/4885RAF1 4079/4885
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF MEN1 4720/4885KMT2A 615/4885RAF1 4079/4885

“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.