Sugi Predict

Sugi Predict / Compounds / SCHEMBL2074587

SCHEMBL2074587

SCHEMBL2074587

N#CC(N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 3/20 0.50
▸ CTSK P43235 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CTSH P09668 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ TAAR1 Q96RJ0 3/20 0.47
▸ SRR Q9GZT4 2/20 0.45
▸ PSAT1 Q9Y617 2/20 0.45
▸ EPHX1 P07099 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ FAP Q12884 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43
▸ IDO1 P14902 2/20 0.42
▸ AGXT P21549 2/20 0.42
▸ ACP3 P15309 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ SLC6A2 P23975 2/20 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
SCHEMBL2074585 1.00 CTSC (0.50) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL16553364 0.92 CTSC (0.41) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL5186213 0.88 EPHX1 (0.56) CTSCCYP2D6TAAR1EPHX1SLC6A2
SCHEMBL2921309 0.88 EPHX1 (0.56) CTSCCYP2D6TAAR1EPHX1SLC6A2
SCHEMBL1598678 0.88 EPHX1 (0.56) CTSCCYP2D6TAAR1EPHX1SLC6A2
Hydrochloric Acid SCHEMBL2680168 0.86 EPHX1 (0.54) CTSCCYP2D6TAAR1EPHX1SLC6A2
Hydrochloric Acid SCHEMBL5562831 0.86 EPHX1 (0.54) CTSCCYP2D6TAAR1EPHX1SLC6A2
SCHEMBL16932305 0.83 LOXL2 (0.48) CTSCCTSKDPP4CYP2A6
SCHEMBL16934678 0.83 LOXL2 (0.48) CTSCCTSKDPP4CYP2A6
SCHEMBL2072361 0.82 CTSC (0.49) CTSCMME

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 — — EP claimed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 — — US claimed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 — — WO claimed
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 — — US disclosed
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 — — US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 — — US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 — — US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 — — US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 — — US disclosed
CN-101945851-B peptidyl nitriles and their use as dipeptidyl peptidase I inhibitors ASTRAZENECA AB 2012-10-31 — — CN disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 — — US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 — — WO disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 — — US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 — — US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 — — US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 — — US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 — — US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 — — US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 — — US disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 — — 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 (6 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885CTSK 3280/4885CYP1A2 320/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CTSC 3565/4885CTSK 1842/4885CYP1A2 4665/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CTSC 3565/4885CTSK 1842/4885CYP1A2 4665/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CTSC 3301/4885CTSK 1684/4885CYP1A2 4636/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CTSC 3565/4885CTSK 1842/4885CYP1A2 4665/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CTSC 3565/4885CTSK 1842/4885CYP1A2 4665/4885

“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.