SCHEMBL7019937

SCHEMBL7019937

BrCc1ccc(-c2nnn(-c3ccccc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
ABCG2 Q9UNQ0 2/20 0.54
RAB9A P51151 7/20 0.54
MMP9 P14780 4/20 0.48
MMP2 P08253 2/20 0.48
MAPT P10636 4/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA4 P43681 1/20 0.44
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GRM5 P41594 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ABCB1 P08183 1/20 0.41

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
SCHEMBL23625647 0.87 NPC1 (0.71) NPC1ABCG2RAB9AMMP9MMP2
SCHEMBL23625628 0.85 NPC1 (0.69) NPC1ABCG2RAB9AMMP9MMP2
SCHEMBL7031023 0.84 ABCG2 (0.54) NPC1ABCG2RAB9AMMP9MMP2
SCHEMBL2210517 0.83 NPC1 (0.77) NPC1ABCG2RAB9AMMP9MMP2
Bromide SCHEMBL28209867 0.81 NPC1 (0.74) NPC1ABCG2RAB9AMMP9MMP2
Hydrochloric Acid SCHEMBL8698166 0.81 NPC1 (0.74) NPC1ABCG2RAB9AMMP9MMP2
Bromide SCHEMBL28209866 0.81 NPC1 (0.74) NPC1ABCG2RAB9AMMP9MMP2
Bromide SCHEMBL146883 0.81 NPC1 (0.74) NPC1ABCG2RAB9AMMP9MMP2
Hydrochloric Acid SCHEMBL1219233 0.81 NPC1 (0.74) NPC1ABCG2RAB9AMMP9MMP2
Hydrochloric Acid SCHEMBL8698170 0.81 NPC1 (0.74) NPC1ABCG2RAB9AMMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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 (1 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 NPC1 1378/4885ABCG2 2400/4885RAB9A 2581/4885

“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.