SCHEMBL16680979

SCHEMBL16680979

Nc1n[nH]c2cc(F)cc(F)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.44
PRKACA P17612 3/20 0.44
GSK3B P49841 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
KDR P35968 3/20 0.44
CDK7 P50613 2/20 0.44
MAP2K1 Q02750 2/20 0.44
CDK5 Q00535 2/20 0.44
DYRK1A Q13627 2/20 0.44
DAPK3 O43293 1/20 0.44
PRKD3 O94806 1/20 0.44
PAK4 O96013 1/20 0.44
ABL1 P00519 1/20 0.44
NTRK1 P04629 1/20 0.44
LCK P06239 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
IGF1R P08069 1/20 0.44
MET P08581 1/20 0.44
PDGFRB P09619 1/20 0.44

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
SCHEMBL91460 0.81 PRKACA (0.39) MAP4K4PRKACAGSK3BCLK4KDR
SCHEMBL1317469 0.81 PDPK1 (0.50) MAP4K4PRKACAGSK3BCLK4KDR
SCHEMBL16681518 0.81 PDPK1 (0.42) MAP4K4PRKACAGSK3BCLK4KDR
SCHEMBL15818542 0.81 KDR (0.41) MAP4K4PRKACAGSK3BCLK4KDR
SCHEMBL85022 0.77 MAP4K4 (0.40) MAP4K4PRKACAGSK3BCLK4KDR
SCHEMBL91427 0.77 CLK4 (0.37) MAP4K4PRKACAGSK3BCLK4KDR
SCHEMBL84391 0.77 EIF4A3 (0.39) MAP4K4PRKACAGSK3BCLK4KDR
SCHEMBL17928 0.77 CLK4 (0.43) MAP4K4PRKACAGSK3BCLK4KDR
SCHEMBL14738326 0.76 MAP2K4 (0.33)
SCHEMBL2955386 0.76 MAP2K4 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021191359-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
US-20190225587-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. 2019-07-25 US disclosed
EP-3066100-B1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma AG (DE) 2019-04-17 EP disclosed
US-10246421-B2 Indazolyl- and indolyl-benzamide derivatives ESANEX, INC. (US) 2019-04-02 US disclosed
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-06 US disclosed
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-16 US disclosed
CN-107428740-A Indazolyl-and indolyl-benzamide derivatives 埃萨内克斯股份有限公司 2017-12-01 CN disclosed
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
EP-3191473-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES Esanex, Inc. (US) 2017-07-19 EP disclosed
US-9598417-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-21 US disclosed
EP-3066100-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2016040809-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. (US) 2016-03-17 WO disclosed
US-20160075662-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. 2016-03-17 US disclosed
WO-2015067549-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-07 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 (8 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-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 MAP4K4 1965/4885PRKACA 1997/4885GSK3B 2951/4885
US-10246421-B2 Indazolyl- and indolyl-benzamide derivatives IDO2, MKI67, IDO1 MAP4K4 303/4885PRKACA 2780/4885GSK3B 730/4885
US-20190225587-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES IDO2, MKI67, IDO1 MAP4K4 303/4885PRKACA 2780/4885GSK3B 730/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 MAP4K4 1965/4885PRKACA 1997/4885GSK3B 2951/4885
US-20160075662-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES IDO2, MKI67, IDO1 MAP4K4 303/4885PRKACA 2780/4885GSK3B 730/4885
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 MAP4K4 1965/4885PRKACA 1997/4885GSK3B 2951/4885
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 MAP4K4 1965/4885PRKACA 1997/4885GSK3B 2951/4885
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 MAP4K4 1965/4885PRKACA 1997/4885GSK3B 2951/4885

“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.