SCHEMBL19253641

SCHEMBL19253641

O=C(Nc1nc2cnc(C(F)(F)F)cc2s1)c1ccncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
PKM P14618 3/20 0.48
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 1/20 0.47
OPRK1 P41145 3/20 0.47
AGTR1 P30556 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
ABL1 P00519 3/20 0.43
MCL1 Q07820 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 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
SCHEMBL19253659 0.85 RAB9A (0.65) NPC1RAB9AHTTSMN1; SMN2PKM
SCHEMBL19253737 0.83 LRRK2 (0.44) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL19270369 0.83 RAB9A (0.52) NPC1RAB9AHTTSMN1; SMN2PKM
SCHEMBL19253669 0.82 NPC1 (0.44) NPC1RAB9AHTTSMN1; SMN2PKM
SCHEMBL19253710 0.81 RAB9A (0.47) NPC1RAB9AHTTSMN1; SMN2PKM
SCHEMBL19253769 0.81 SCD (0.63) NPC1RAB9AHTTSMN1; SMN2PKM
SCHEMBL19253741 0.81 NPC1 (0.44) NPC1RAB9AHTTSMN1; SMN2PKM
SCHEMBL19253666 0.81 RAB9A (0.43) NPC1RAB9AHTTSMN1; SMN2PKM
SCHEMBL19253770 0.81 RAB9A (0.45) NPC1RAB9AHTTSMN1; SMN2PKM
SCHEMBL19253605 0.81 LRRK2 (0.63) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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 10 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
EP-3419981-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY Indiana University Research & Technology Corporation (US) 2019-01-02 EP 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
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 NPC1 4242/4885RAB9A 2194/4885HTT 337/4885
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy SMN1; SMN2, MUSK, MYOF NPC1 4242/4885RAB9A 2194/4885HTT 337/4885
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF NPC1 4242/4885RAB9A 2194/4885HTT 337/4885

“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.