SCHEMBL2056403

SCHEMBL2056403

CCc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
IDO1 P14902 1/20 0.46
NISCH Q9Y2I1 1/20 0.45
FGFR1 P11362 1/20 0.41
BCL2 P10415 1/20 0.41
PTGS2 P35354 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
LRRK2 Q5S007 1/20 0.36
TP53 P04637 2/20 0.33
TGFBR1 P36897 1/20 0.33
GRM4 Q14833 1/20 0.33
MGLL Q99685 1/20 0.33
MAP2K4 P45985 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL6961992 0.87 CTSS (0.42) NOTUMIDO1NISCHCTSSCTSK
SCHEMBL16158539 0.86 TP53 (0.41) NOTUMIDO1NISCHFGFR1BCL2
SCHEMBL6952046 0.84 HSD11B1 (0.39) CTSSCTSKTP53
SCHEMBL2233428 0.83 TSHR (0.34) NOTUMIDO1MAP2K4
SCHEMBL3576499 0.83 PRKCI (0.49) FGFR1MGLLMAP2K4
SCHEMBL7810819 0.83 CDK8 (0.41) FGFR1
SCHEMBL1557945 0.83 PIM1 (0.34) NOTUMIDO1
SCHEMBL6740112 0.83 NOTUM (0.34) NOTUMIDO1
SCHEMBL17548483 0.83 CYP4F2 (0.38) NOTUMIDO1
SCHEMBL5950532 0.83 PIM1 (0.31) NOTUMIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
WO-2019154366-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏奥赛康药业有限公司 2019-08-15 WO disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-9783501-B2 Substituted quinolines as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO disclosed
US-20070066586-A1 ANILINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2007-03-22 US disclosed
US-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2006-10-26 US disclosed
EP-1489081-A1 SPIRO DERIVATIVES AND ADHESION MOLECULE INHIBITORS COMPRISING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2004-12-22 EP disclosed
CN-1159289-C C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cystenine proteases ������˹ҩƷ��˾ 2004-07-28 CN disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP 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-20070066586-A1 ANILINE DERIVATIVES SERPINB1, ACE, REN NOTUM 74/4885IDO1 256/4885NISCH 89/4885
US-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient VCAM1, SELL, ICAM1 NOTUM 2427/4885IDO1 2823/4885NISCH 4480/4885
US-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, SCN2A NOTUM 3271/4885IDO1 2048/4885NISCH 465/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 NOTUM 1474/4885IDO1 2385/4885NISCH 766/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 NOTUM 1474/4885IDO1 2385/4885NISCH 766/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT NOTUM 353/4885IDO1 600/4885NISCH 364/4885

“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.