SCHEMBL2837874

SCHEMBL2837874

COc1ccc(C(=O)O)c(N)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 2/20 0.51
MYC P01106 1/20 0.46
CDC25B P30305 2/20 0.45
KDM4E B2RXH2 4/20 0.43
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
TPMT P51580 1/20 0.43
MAPK1 P28482 4/20 0.42
HSD17B10 Q99714 2/20 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
SCHEMBL1554497 0.85 ALDH1A1 (0.56) ALDH1A1TDP1MAPTMYCCDC25B
SCHEMBL312873 0.85 ALDH1A1 (0.47) ALDH1A1TDP1MAPTKDM4EHTT
SCHEMBL1496439 0.85 NNMT (0.46) ALDH1A1TDP1MAPTKDM4EHTT
SCHEMBL1203086 0.85 ALDH1A1 (0.59) ALDH1A1TDP1MAPTMYCCDC25B
SCHEMBL2212660 0.84 KDM4E (0.51) ALDH1A1MAPTMYCKDM4EHTT
SCHEMBL732725 0.82 MAPT (0.61) ALDH1A1TDP1MAPTMYCCDC25B
SCHEMBL700669 0.81 MAPT (0.66) ALDH1A1TDP1MAPTMYCCDC25B
SCHEMBL15621232 0.81 PLK1 (0.55) ALDH1A1TDP1MAPTKDM4EHTT
SCHEMBL313281 0.80 ALDH1A1 (0.54) ALDH1A1TDP1MAPTMYCCDC25B
SCHEMBL17142284 0.80 ALDH1A1 (0.54) ALDH1A1TDP1MAPTMYCCDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759675-A Catalyst component for preparing polyolefin, catalyst and application thereof 中国石油化工股份有限公司 2021-05-07 CN disclosed
CN-112759674-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2021-05-07 CN disclosed
CN-112759673-A Catalyst for olefin polymerization, catalyst component and application thereof 中国石油化工股份有限公司 2021-05-07 CN disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 EP disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
EP-1912981-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
EP-0028473-B1 CHLORO- AND ALKOXY-SUBSTITUTED-2,4-DIAMINOQUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1985-01-09 EP disclosed
US-4377581-A ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1983-03-22 US disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 US disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 US disclosed
EP-0028473-A1 Chloro- and alkoxy-substituted-2,4-diaminoquinazolines and pharmaceutical compositions containing them PFIZER INC. (US) 1981-05-13 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 (3 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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 ALDH1A1 380/4885TDP1 3109/4885MAPT 4860/4885
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE DSTYK, ABL1, EEF2K ALDH1A1 4359/4885TDP1 2906/4885MAPT 4766/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 ALDH1A1 1769/4885TDP1 4116/4885MAPT 4715/4885

“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.