SCHEMBL16680739

SCHEMBL16680739

N#CCc1cccc(F)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CXCR2 P25025 3/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HSD11B1 P28845 2/20 0.34

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
SCHEMBL24872545 0.83 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL22904392 0.80 CXCL8 (0.44) ALDH1A1HPGDKMT2APOLBL3MBTL1
SCHEMBL7861381 0.80 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL20838005 0.80 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL10891656 0.80 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL16949914 0.80 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL12648426 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL16953179 0.80 S1PR1 (0.42) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL29893592 0.79 HPGD (0.40) ALDH1A1KDM4EHPGDKMT2ATDP1
SCHEMBL837981 0.79 HPGD (0.40) ALDH1A1KDM4EHPGDKMT2ATDP1

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
US-20250059163-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2025-02-20 US disclosed
EP-4483881-A2 FUSED RING COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-01-01 EP disclosed
EP-3735299-B1 FUSED RING COMPOUNDS HOFFMANN LA ROCHE (CH) 2024-10-02 EP disclosed
US-12084429-B2 Fused ring compounds GENENTECH, INC. (US) 2024-09-10 US disclosed
CN-118084866-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084867-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084870-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084868-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-112105419-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-29 CN disclosed
US-20230089126-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2023-03-23 US disclosed
EP-3066100-B1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma AG (DE) 2019-04-17 EP 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-105683194-B The inhibitor of (azepine) pyrido PyrazolopyrimidinonecGMP and indazole hepyramine as fibrinolysis 拜耳制药股份公司 2018-09-14 CN disclosed
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US 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
CN-105683194-A (aza)pyridopyrazolopyrimidinones and indazolopyrimidinones as inhibitors of fibrinolysis 拜耳制药股份公司 2016-06-15 CN 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 (7 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 ALDH1A1 212/4885KDM4E 2701/4885HPGD 83/4885
US-20230089126-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS ALDH1A1 3258/4885KDM4E 3124/4885HPGD 2966/4885
US-12084429-B2 Fused ring compounds KRAS, NRAS, HRAS ALDH1A1 3258/4885KDM4E 3124/4885HPGD 2966/4885
US-20250059163-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS ALDH1A1 3258/4885KDM4E 3124/4885HPGD 2966/4885
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 ALDH1A1 212/4885KDM4E 2701/4885HPGD 83/4885
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 ALDH1A1 212/4885KDM4E 2701/4885HPGD 83/4885
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 ALDH1A1 212/4885KDM4E 2701/4885HPGD 83/4885

“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.