SCHEMBL889060

SCHEMBL889060

CC(=O)c1ccc2[nH]c(C)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
HSP90AA1 P07900 1/20 0.57
ESR2 Q92731 1/20 0.57
POLB P06746 8/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KIF11 P52732 1/20 0.46
CYP2A6 P11509 1/20 0.43
NPBWR1 P48145 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
SLC2A1 P11166 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1106071 0.86 TDP1 (0.76) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL6113137 0.86 HSP90AA1 (0.76) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL8262964 0.85 HSP90AA1 (0.55) TDP1HSP90AA1ESR2POLBALDH1A1
Hydrochloric Acid SCHEMBL7331906 0.85 TDP1 (0.73) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL14601528 0.84 NPBWR1 (0.48) POLBALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL13306080 0.82 TDP1 (0.53) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL16938469 0.82 BRD4 (0.45) TDP1HSP90AA1ESR2SMN1; SMN2KIF11
SCHEMBL13485765 0.82 HSP90AA1 (0.53) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL5032566 0.82 HSP90AA1 (0.53) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL4149831 0.82 TDP1 (0.53) TDP1HSP90AA1ESR2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 CN disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-9815784-B2 CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2017-11-14 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-8927709-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
EP-0989986-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS Abbott Laboratories (US) 2000-04-05 EP disclosed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 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 (11 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 TDP1 3212/4885HSP90AA1 2007/4885ESR2 2818/4885
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L TDP1 290/4885HSP90AA1 2897/4885ESR2 4278/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L TDP1 290/4885HSP90AA1 2897/4885ESR2 4278/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 TDP1 3212/4885HSP90AA1 2007/4885ESR2 2818/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TDP1 3277/4885HSP90AA1 1856/4885ESR2 2430/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 TDP1 2549/4885HSP90AA1 2189/4885ESR2 2785/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L TDP1 3201/4885HSP90AA1 1928/4885ESR2 2927/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TDP1 3277/4885HSP90AA1 1856/4885ESR2 2430/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 TDP1 2549/4885HSP90AA1 2189/4885ESR2 2785/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 TDP1 4783/4885HSP90AA1 1732/4885ESR2 384/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT TDP1 4837/4885HSP90AA1 4627/4885ESR2 1458/4885

“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.