SCHEMBL19253687

SCHEMBL19253687

O=C(Nc1nc2cnc(C(F)(F)F)cc2s1)c1ccc(F)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
TAS1R2 Q8TE23 1/20 0.57
LRRK2 Q5S007 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51
HSD17B10 Q99714 1/20 0.50
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.46
BLM P54132 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
MMP13 P45452 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL19253605 0.89 LRRK2 (0.63) LRRK2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19253695 0.86 NPC1 (0.59) LRRK2SMN1; SMN2HSD17B1HSD17B2MEN1
SCHEMBL19270398 0.85 LRRK2 (0.55) TAS1R3TAS1R1TAS1R2LRRK2SMN1; SMN2
SCHEMBL19253774 0.82 LRRK2 (0.61) LRRK2SMN1; SMN2HSD17B1HSD17B2MEN1
SCHEMBL19253737 0.80 LRRK2 (0.44) LRRK2SMN1; SMN2HSD17B1HSD17B10MEN1
SCHEMBL19253738 0.80 MEN1 (0.45) LRRK2SMN1; SMN2HSD17B1HSD17B10MEN1
SCHEMBL24729258 0.79 HSD17B10 (0.77) TAS1R3TAS1R1TAS1R2LRRK2SMN1; SMN2
SCHEMBL29947688 0.79 HSD17B10 (0.77) TAS1R3TAS1R1TAS1R2LRRK2SMN1; SMN2
SCHEMBL19253769 0.79 SCD (0.63) LRRK2SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL19253623 0.78 RAF1 (0.43) LRRK2SMN1; SMN2HSD17B1HSD17B2ALDH1A1

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 TAS1R3 3945/4885TAS1R1 4073/4885TAS1R2 3860/4885
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy SMN1; SMN2, MUSK, MYOF TAS1R3 3945/4885TAS1R1 4073/4885TAS1R2 3860/4885
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF TAS1R3 3945/4885TAS1R1 4073/4885TAS1R2 3860/4885

“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.