SCHEMBL7109033

SCHEMBL7109033

N#Cc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.76
ALOX5 P09917 4/20 0.64
AMY1A P0DUB6 2/20 0.64
CFTR P13569 1/20 0.62
NPY5R Q15761 1/20 0.60
MAPT P10636 7/20 0.60
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
RAB9A P51151 5/20 0.60
GAA P10253 4/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
RECQL P46063 1/20 0.60
CSNK2A1 P68400 1/20 0.60
NPC1 O15118 3/20 0.59
HTT P42858 3/20 0.58
KDM4E B2RXH2 2/20 0.58
CYP1A1 P04798 1/20 0.57

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
SCHEMBL1821422 0.97 VCP (0.76) VCPALOX5AMY1ACFTRNPY5R
SCHEMBL1821894 0.89 ALOX5 (0.79) VCPALOX5AMY1ANPY5RMAPT
SCHEMBL7111888 0.86 VCP (0.76) VCPALOX5AMY1ACFTRMAPT
SCHEMBL206229 0.86 VCP (0.76) VCPALOX5AMY1ACFTRMAPT
SCHEMBL207572 0.86 VCP (0.76) VCPALOX5AMY1ACFTRNPY5R
SCHEMBL1892520 0.86 VCP (0.76) VCPALOX5AMY1ACFTRMAPT
SCHEMBL31126469 0.83 ALOX5 (0.71) VCPALOX5AMY1ACFTRNPY5R
SCHEMBL1821487 0.83 VCP (0.71) VCPALOX5AMY1ACFTRMAPT
SCHEMBL205600 0.83 MEN1 (0.71) VCPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12298023 0.83 CFTR (0.74) VCPALOX5CFTRNPY5RMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220380-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-11-27 US claimed
US-6586453-B2 Useful in prophylaxis or treatment of thrombosis, angina, pectoris, cerebral infarction, myocardial/pulmonary infarction, intra-atrial thrombus in atrial fibrillation, diabetic complications, restenosis, and stroke 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-07-01 US claimed
US-20010044545-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-22 US claimed
US-20030220380-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-11-27 US disclosed
US-6586453-B2 Useful in prophylaxis or treatment of thrombosis, angina, pectoris, cerebral infarction, myocardial/pulmonary infarction, intra-atrial thrombus in atrial fibrillation, diabetic complications, restenosis, and stroke 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-07-01 US disclosed
US-20010044545-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-22 US disclosed
WO-2001074793-A2 SUBSTITUTED THIAZOLES AND THE USE THEREOF AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-10-11 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 (2 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-20010044545-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 VCP 2778/4885ALOX5 2040/4885AMY1A 42/4885
US-20030220380-A1 Substituted thiazoles and the use thereof as inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 VCP 2778/4885ALOX5 2040/4885AMY1A 42/4885

“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.