SCHEMBL206089

SCHEMBL206089

COc1ccc(Cl)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
POLB P06746 2/20 1.00
RAB9A P51151 7/20 0.74
NPC1 O15118 6/20 0.74
GAA P10253 2/20 0.74
MAPT P10636 4/20 0.63
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
ALOX5 P09917 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GLA P06280 1/20 0.56

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
SCHEMBL8740257 0.88 MEN1 (0.78) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL14054287 0.88 RAB9A (0.84) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL14059092 0.87 RAB9A (0.78) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL8741770 0.86 MEN1 (0.76) MEN1KMT2APOLBRAB9ANPC1
Bromide SCHEMBL14054264 0.86 RAB9A (0.76) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL14053326 0.85 RAB9A (1.00) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL8521727 0.84 MEN1 (0.73) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL8740217 0.84 MEN1 (0.73) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL6118406 0.83 MEN1 (0.71) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL207431 0.83 RAB9A (0.72) MEN1KMT2APOLBRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20090156611-A1 MAMMALIAN HEDGEHOG SIGNALING MODULATORS LICENTIA LTD. (FI) 2009-06-18 US disclosed
US-20090156611-A1 MAMMALIAN HEDGEHOG SIGNALING MODULATORS LICENTIA LTD. (FI) 2009-06-18 US disclosed
US-20070269420-A1 Compounds, Compositions and Methods for Treatment and Prophylaxis of Hepatitis C Viral Infections and Associated Diseases VIROPHARMA INCORPORATED 2007-11-22 US disclosed
US-20070269420-A1 Compounds, Compositions and Methods for Treatment and Prophylaxis of Hepatitis C Viral Infections and Associated Diseases VIROPHARMA INCORPORATED 2007-11-22 US disclosed
WO-2007054623-A2 MAMMALIAN HEDGEHOG SIGNALING INHIABITORS LICENTIA OY (FI) 2007-05-18 WO disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (5 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-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION MMP13, MMP8, MMP11 MEN1 2970/4885KMT2A 4146/4885POLB 826/4885
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885POLB 2513/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885POLB 2513/4885
US-20070269420-A1 Compounds, Compositions and Methods for Treatment and Prophylaxis of Hepatitis C Viral Infections and Associated Diseases HAVCR2, FABP1, LIPC MEN1 4701/4885KMT2A 2832/4885POLB 175/4885
US-20090156611-A1 MAMMALIAN HEDGEHOG SIGNALING MODULATORS SMO, SHH, GLI1 MEN1 3274/4885KMT2A 2989/4885POLB 2611/4885

“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.