SCHEMBL19253621

SCHEMBL19253621

O=C(Nc1nc2cnc(C(F)(F)F)cc2s1)c1cncs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
KDM4E B2RXH2 4/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
ABL1 P00519 2/20 0.42
DYRK1A Q13627 1/20 0.40
KMT2A Q03164 5/20 0.40
CASP3 P42574 5/20 0.40
SENP7 Q9BQF6 5/20 0.40
SENP8 Q96LD8 4/20 0.40
SENP6 Q9GZR1 4/20 0.40
MEN1 O00255 3/20 0.40
TP53 P04637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL19270364 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL19253737 0.81 LRRK2 (0.44) NPC1RAB9ASMN1; SMN2ABL1DYRK1A
SCHEMBL19253772 0.81 ABL1 (0.41) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL19253643 0.81 ABL1 (0.43) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL19253710 0.80 RAB9A (0.47) NPC1RAB9ASMN1; SMN2KDM4EABL1
SCHEMBL19253766 0.80 CASP3 (0.60) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL19253770 0.80 RAB9A (0.45) NPC1RAB9ASMN1; SMN2KDM4EABL1
SCHEMBL19253774 0.79 LRRK2 (0.61) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL19253628 0.79 ABL1 (0.43) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL19253641 0.79 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EABL1

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 NPC1 4242/4885RAB9A 2194/4885SMN1; SMN2 1/4885
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy SMN1; SMN2, MUSK, MYOF NPC1 4242/4885RAB9A 2194/4885SMN1; SMN2 1/4885
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF NPC1 4242/4885RAB9A 2194/4885SMN1; SMN2 1/4885

“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.