SCHEMBL1238432

SCHEMBL1238432

O=c1[nH]c2ccccc2n1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.50
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
LMNA P02545 2/20 0.47

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
SCHEMBL30257855 1.00 AURKA (0.50) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL30257956 0.88 TNKS (0.49) CDK5CDK5R1LMNAMEN1KMT2A
SCHEMBL31519931 0.85 GAA (0.59) ALDH1A1ALOX12HTTKDM4E
SCHEMBL6976082 0.85 GAA (0.59) ALDH1A1ALOX12HTTKDM4E
SCHEMBL5956448 0.84 AURKA (0.53) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL23119573 0.83 CDK5 (0.59) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL22191252 0.81 AKT2 (0.47) AURKAGABRA1GABRA5LMNAMEN1
SCHEMBL29437804 0.81 AKT2 (0.47) AURKAGABRA1GABRA5LMNAMEN1
SCHEMBL699273 0.81 LMNA (0.65) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL29367625 0.81 LMNA (0.65) AURKAGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARCACEUTICAL CO LTD (JP) 2014-11-20 US disclosed
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMA CO LTD (JP) 2014-11-20 US disclosed
US-8822453-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-2727917-A1 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-07 EP disclosed
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
EP-2467364-A2 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION Otsuka Pharmaceutical Co., Ltd. (JP) 2012-06-27 EP disclosed
WO-2011021726-A2 NITROGEN-CONTAINING COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-24 WO disclosed
US-5391566-A An endothelin antagonist, hypotensive agents, antiinflammatory agents for treating cardiovascular disorders, kidney disorders , brain disorders, asthma MERCK & CO., INC. (US) 1995-02-21 US disclosed
WO-1995003044-A1 BENZIMIDAZOLINONES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1995-02-02 WO 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-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 AURKA 1436/4885GABRP 375/4885GABRD 264/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 AURKA 1436/4885GABRP 375/4885GABRD 264/4885
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 AURKA 1436/4885GABRP 375/4885GABRD 264/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH AURKA 4740/4885GABRP 731/4885GABRD 469/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH AURKA 4740/4885GABRP 731/4885GABRD 469/4885

“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.