SCHEMBL520824

SCHEMBL520824

Nc1ccc2c(cnn2CCN2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC1 Q13547 2/20 0.52
MCHR1 Q99705 8/20 0.48
EGFR P00533 4/20 0.46
MCHR2 Q969V1 3/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MET P08581 1/20 0.42
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
CSNK1A1 P48729 1/20 0.40
GSK3A P49840 1/20 0.40
LIMK1 P53667 1/20 0.40
IKBKE Q14164 1/20 0.40
MAPK14 Q16539 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL521061 0.89 HDAC3 (0.47) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL538977 0.89 MCHR1 (0.53) MCHR1MCHR2
SCHEMBL6069601 0.87 MCHR1 (0.52) MCHR1MCHR2
SCHEMBL16931323 0.86 HDAC3 (0.52) HDAC3HDAC2HDAC1MCHR1MCHR2
SCHEMBL110445 0.83 EGFR (0.56) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL2961954 0.83 HDAC3 (0.52) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL14534661 0.83 MCHR1 (0.51) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL29804080 0.83 EGFR (0.56) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL20859441 0.81 HDAC3 (0.50) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL14594169 0.81 MCHR1 (0.49) HDAC3HDAC2HDAC1MCHR1EGFR

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178928-A1 2-AMINO-4-INDOLYL PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USES THEREOF 中国药科大学 2023-09-28 WO disclosed
US-9777020-B2 Furo-3-carboxamide derivatives and methods of use ABBVIE INC. (US) 2017-10-03 US disclosed
EP-3097095-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
US-9249125-B2 Pyrazole derivatives as p38 MAP inhibitors RESPIVERT LIMITED (GB) 2016-02-02 US disclosed
US-9249125-B2 Pyrazole derivatives as p38 MAP inhibitors RESPIVERT LIMITED (GB) 2016-02-02 US disclosed
US-9249125-B2 Pyrazole derivatives as p38 MAP inhibitors RESPIVERT LIMITED (GB) 2016-02-02 US disclosed
US-20150210720-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. 2015-07-30 US disclosed
WO-2015112754-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2015-07-30 WO disclosed
US-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2015-07-23 US disclosed
US-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2015-07-23 US disclosed
US-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2015-07-23 US disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
WO-2014033448-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS RESPIVERT LIMTED (GB) 2014-03-06 WO disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-7071182-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-07-04 US disclosed
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-12-15 US disclosed
US-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 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 (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-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS SYK, FYN, MAPK1 HDAC3 1870/4885HDAC2 805/4885HDAC1 995/4885
US-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R HDAC3 3197/4885HDAC2 4093/4885HDAC1 4164/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R HDAC3 3197/4885HDAC2 4093/4885HDAC1 4164/4885
US-20150210720-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE NTRK2, MUSK, NTRK3 HDAC3 131/4885HDAC2 560/4885HDAC1 172/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 HDAC3 841/4885HDAC2 1272/4885HDAC1 811/4885

“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.