SCHEMBL2862825

SCHEMBL2862825

COC(=O)c1n[nH]c2cccc(F)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
STAT3 P40763 1/20 0.59
HIF1A Q16665 1/20 0.59
LRRK2 Q5S007 1/20 0.47
FLT3 P36888 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK10 P53779 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DYRK1A Q13627 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
YTHDC1 Q96MU7 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MAP2K4 P45985 1/20 0.39
CDK2 P24941 1/20 0.39
CTSK P43235 1/20 0.39
NR4A2 P43354 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2599805 0.83 KDM4E (0.60) KDM4ESTAT3HIF1ALRRK2FLT3
SCHEMBL4791540 0.82 KDM4E (0.59) KDM4ESTAT3HIF1ALRRK2FLT3
SCHEMBL7737920 0.82 KDM4E (0.59) KDM4ESTAT3HIF1ALRRK2FLT3
SCHEMBL14271999 0.82 KDM4E (0.59) KDM4ESTAT3HIF1ALRRK2FLT3
SCHEMBL16240884 0.81 CTNNB1 (0.44) KDM4ESTAT3HIF1AFLT3YTHDC1
SCHEMBL28503864 0.81 KDM4E (0.57) KDM4ESTAT3HIF1ALRRK2FLT3
SCHEMBL16252836 0.80 MAP2K4 (0.43) KDM4ESTAT3HIF1ALRRK2FLT3
SCHEMBL16597363 0.80 KDM4E (0.47) KDM4ESTAT3HIF1ALRRK2SMN1; SMN2
SCHEMBL23872474 0.79 KDM4E (0.48) KDM4ESTAT3HIF1ALRRK2FLT3
SCHEMBL998168 0.78 KDM4E (0.45) KDM4ESTAT3HIF1ALRRK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105593211-B Indole and indazole derivatives 豪夫迈·罗氏有限公司 2021-07-27 CN disclosed
CN-111995577-A Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof 上海代为化学科技有限公司 2020-11-27 CN disclosed
EP-3049391-B1 INDOLE AND INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 US disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 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 (5 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-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA KDM4E 2080/4885STAT3 77/4885HIF1A 848/4885
US-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KDM4E 2531/4885STAT3 224/4885HIF1A 2028/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA KDM4E 2080/4885STAT3 77/4885HIF1A 848/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 KDM4E 2430/4885STAT3 103/4885HIF1A 1707/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KDM4E 2531/4885STAT3 224/4885HIF1A 2028/4885

“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.