SCHEMBL17243071

SCHEMBL17243071

c1ccc(-c2nc(-c3c[nH]c4ncccc34)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
ROCK1 Q13464 2/20 0.59
CDK1 P06493 4/20 0.56
CCNB1 P14635 4/20 0.56
GSK3B P49841 4/20 0.56
AR P10275 2/20 0.55
CDC7 O00311 5/20 0.55
DBF4 Q9UBU7 2/20 0.55
CCNB2 O95067 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
NPC1 O15118 1/20 0.52
CYP19A1 P11511 1/20 0.52
CDK2 P24941 4/20 0.51
CCNT1 O60563 2/20 0.51
CCNA2 P20248 2/20 0.51
CDK9 P50750 2/20 0.51

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
SCHEMBL24440732 0.91 KMT2A (0.54) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23163185 0.86 GSK3B (0.49) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL24440421 0.83 RAB9A (0.52) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23163137 0.82 CDK1 (0.57) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23163147 0.82 CDK9 (0.57) ROCK1CDK1CCNB1GSK3BCDC7
SCHEMBL98272 0.82 ROCK1 (0.62) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4474062 0.81 PDPK1 (0.63) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL17243087 0.81 MEN1 (0.84) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23204441 0.80 CDK1 (0.53) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL23204459 0.80 CDK1 (0.53) RAB9ASMN1; SMN2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022104348-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2022-05-19 WO disclosed
US-11123340-B2 Small-molecule UT-A-selective urea transport inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200016147-A1 SMALL-MOLECULE UT-A-SELECTIVE UREA TRANSPORT INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-01-16 US disclosed
US-20170239235-A1 SMALL-MOLECULE UT-A-SELECTIVE UREA TRANSPORT INIHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-24 US disclosed
WO-2015172065-A1 SMALL-MOLECULE UT-A-SELECTIVE UREA TRANSPORT INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-11-12 WO 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-20170239235-A1 SMALL-MOLECULE UT-A-SELECTIVE UREA TRANSPORT INIHIBITORS SLC14A1, UTS2R, SLC28A1 RAB9A 1511/4885SMN1; SMN2 4696/4885KMT2A 2381/4885
US-11123340-B2 Small-molecule UT-A-selective urea transport inhibitors SLC14A1, UTS2R, SLC75A1 RAB9A 1609/4885SMN1; SMN2 4768/4885KMT2A 1864/4885
US-20200016147-A1 SMALL-MOLECULE UT-A-SELECTIVE UREA TRANSPORT INHIBITORS SLC14A1, UTS2R, SLC75A1 RAB9A 1609/4885SMN1; SMN2 4768/4885KMT2A 1864/4885

“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.