SCHEMBL4741271

SCHEMBL4741271

N#Cc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 4/20 0.47
GABRP O00591 3/20 0.47
GABRD O14764 3/20 0.47
GABRA1 P14867 3/20 0.47
GABRB1 P18505 3/20 0.47
GABRG2 P18507 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRA2 P47869 3/20 0.47
GABRB2 P47870 3/20 0.47
GABRA4 P48169 3/20 0.47
GABRE P78334 3/20 0.47
GABRA6 Q16445 3/20 0.47
GABRG1 Q8N1C3 3/20 0.47
GABRG3 Q99928 3/20 0.47
GABRQ Q9UN88 3/20 0.47
AR P10275 3/20 0.40
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
NR1I2 O75469 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
SCHEMBL7968617 0.86 GABRP (0.42) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL14054812 0.86 GABRB3 (0.42) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL24455322 0.82 PDE2A (0.42) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL11095438 0.77 AR (0.40) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL12724946 0.77 AR (0.40) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9581513 0.77 AR (0.44) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL14325890 0.75 GABRP (0.38) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9465161 0.75 AR (0.42) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL31195171 0.75 AR (0.42) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL13868312 0.74 KDM4E (0.43) GABRB3GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-12-05 US disclosed
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US disclosed
EP-4168394-A1 AMIDOPYRIMIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-26 EP disclosed
CN-115867541-A Aminopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-03-28 CN disclosed
WO-2021259815-A1 AMIDOPYRIMIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-30 WO disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP 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-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
EP-3066100-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO 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
US-20120298980-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
US-20120298980-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 US disclosed
WO-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed
US-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-07-17 US disclosed
US-6172225-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
EP-0906270-B1 PROCESS FOR PRODUCING HYDROXYARENES BAYER AG (DE) 2000-10-25 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 (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-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 GABRB3 1950/4885GABRP 1778/4885GABRD 2850/4885
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 GABRB3 4578/4885GABRP 3892/4885GABRD 4461/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 GABRB3 3772/4885GABRP 2521/4885GABRD 3813/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 GABRB3 4578/4885GABRP 3892/4885GABRD 4461/4885
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 GABRB3 4578/4885GABRP 3892/4885GABRD 4461/4885
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 GABRB3 3059/4885GABRP 2406/4885GABRD 4041/4885
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 GABRB3 3059/4885GABRP 2406/4885GABRD 4041/4885

“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.