SCHEMBL3603471

SCHEMBL3603471

CCOC(=O)c1cc2c(Br)ccnc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.48
BRAF P15056 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP13 P45452 6/20 0.43
MMP2 P08253 4/20 0.43
MMP14 P50281 2/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
ALOX15 P16050 1/20 0.42

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
SCHEMBL30731078 1.00 NUDT1 (0.48) NUDT1BRAFKDM4EALDH1A1HPGD
SCHEMBL22554309 0.86 ABL1 (0.44) NUDT1GLAGAA
SCHEMBL30731054 0.86 ABL1 (0.44) NUDT1GLAGAA
SCHEMBL17126117 0.84 NUDT1 (0.48) NUDT1BRAFKDM4EALDH1A1HPGD
SCHEMBL3195922 0.83 NUDT1 (0.47) NUDT1BRAFKDM4EALDH1A1HPGD
SCHEMBL17126124 0.81 NUDT1 (0.45) NUDT1BRAFKDM4EALDH1A1HPGD
SCHEMBL28912343 0.79 NUDT1 (0.36) NUDT1BRAF
SCHEMBL22554070 0.78 DAO (0.44) NUDT1BRAFKDM4EALDH1A1HPGD
SCHEMBL30731002 0.78 DAO (0.44) NUDT1BRAFKDM4EALDH1A1HPGD
SCHEMBL28459983 0.78 ALDH1A1 (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
EP-3728230-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 EP disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 US disclosed
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 US disclosed
US-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides GLAXOSMITHKLINE LLC 2008-12-11 US disclosed
US-7419988-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2008-09-02 US disclosed
WO-2008049855-A2 7-AZAINDOLE DERIVATIVES AS C-MET KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-02 WO disclosed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 US disclosed
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2008-01-03 US disclosed
US-7282588-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM (US) 2007-10-16 US disclosed
WO-2007090141-A2 PYRROLO [2, 3, B] PYRIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-09 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
US-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2007-06-28 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 (9 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C NUDT1 2148/4885BRAF 370/4885KDM4E 774/4885
US-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB NUDT1 2539/4885BRAF 577/4885KDM4E 317/4885
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 NUDT1 1667/4885BRAF 726/4885KDM4E 1512/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB NUDT1 2539/4885BRAF 577/4885KDM4E 317/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C NUDT1 2148/4885BRAF 370/4885KDM4E 774/4885
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors BRAF, RAF1, ARAF NUDT1 2609/4885BRAF 1/4885KDM4E 1169/4885
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB NUDT1 1609/4885BRAF 2516/4885KDM4E 3282/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB NUDT1 2539/4885BRAF 577/4885KDM4E 317/4885
US-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides AURKA, AURKC, AURKB NUDT1 2556/4885BRAF 44/4885KDM4E 95/4885

“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.