SCHEMBL19253737

SCHEMBL19253737

O=C(Nc1nc2cnc(C(F)(F)F)cc2s1)c1cncnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.44
SCD O00767 2/20 0.44
ABL1 P00519 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B1 P14061 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
KCNH2 Q12809 1/20 0.42
DYRK1A Q13627 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) LRRK2SCDRAB9ANPC1MAPT
SCHEMBL19253774 0.86 LRRK2 (0.61) LRRK2SCDABL1RAB9ANPC1
SCHEMBL19253695 0.85 NPC1 (0.59) LRRK2SCDRAB9ANPC1MAPT
SCHEMBL19253605 0.84 LRRK2 (0.63) LRRK2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL19253623 0.84 RAF1 (0.43) LRRK2ABL1RAB9ANPC1MAPT
SCHEMBL19253738 0.83 MEN1 (0.45) LRRK2SCDABL1RAB9ANPC1
SCHEMBL19253641 0.83 NPC1 (0.48) ABL1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL19253710 0.82 RAB9A (0.47) LRRK2ABL1RAB9ANPC1MAPT
SCHEMBL19270377 0.81 RAB9A (0.47) SCDABL1RAB9ANPC1MAPT
SCHEMBL19253621 0.81 NPC1 (0.42) ABL1RAB9ANPC1MAPTSMN1; SMN2

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 LRRK2 976/4885SCD 1992/4885ABL1 2209/4885
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy SMN1; SMN2, MUSK, MYOF LRRK2 976/4885SCD 1992/4885ABL1 2209/4885
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF LRRK2 976/4885SCD 1992/4885ABL1 2209/4885

“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.