SCHEMBL221868

SCHEMBL221868

c1ccc(-c2cnnc(-c3ccccc3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 15/20 1.00
GABRB3 P28472 15/20 1.00
GABRA5 P31644 15/20 1.00
GABRA3 P34903 15/20 1.00
GABRA1 P14867 8/20 1.00
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
PBRM1 Q86U86 1/20 0.45
CYP19A1 P11511 1/20 0.42

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
Formaldehyde SCHEMBL27875050 0.94 GABRG2 (0.88) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4856668 0.90 GABRG2 (0.81) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4855823 0.85 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653543 0.84 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653507 0.83 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2654763 0.83 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21117486 0.82 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21117352 0.82 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653411 0.80 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2654488 0.80 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-10-19 US claimed
CN-109970806-B Organic metal iridium complex, preparation method thereof and application thereof in OLED 中节能万润股份有限公司 2021-08-13 CN disclosed
US-10833276-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-11-10 US disclosed
US-10777754-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-09-15 US disclosed
US-9997712-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-06-12 US disclosed
US-9997712-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-06-12 US disclosed
US-20180145262-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2018-05-24 US disclosed
US-20180145262-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2018-05-24 US disclosed
US-9780316-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-10-03 US disclosed
US-9780316-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-10-03 US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
EP-1532120-B1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2009-01-14 EP disclosed
US-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-10-19 US disclosed
US-20060073472-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death UNIVERSITE DE STRASBOURG (FR) 2006-04-06 US disclosed
EP-1532120-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
EP-1430033-A4 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE UNIV NORTHWESTERN (US) 2004-12-15 EP disclosed
EP-1430033-A1 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE NORTHWESTERN UNIVERSITY (US) 2004-06-23 EP disclosed
WO-2004014865-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 WO disclosed
US-20030176437-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-09-18 US disclosed
WO-2003018563-A1 ANTI-INFLAMMATORY AND PROTEIN KINASE INHIBITOR COMPOSITION AND METHOD OF USE NORTHWESTERN UNIVERSITY (US) 2003-03-06 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 (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-10833276-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, TYR GABRG2 3781/4885GABRB3 2021/4885GABRA5 2679/4885
US-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors GABRA5, GABRA2, GABRA3 GABRG2 20/4885GABRB3 8/4885GABRA5 1/4885
US-20060073472-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death CASP2, CASP1, DAPK2 GABRG2 4521/4885GABRB3 4152/4885GABRA5 4414/4885
US-20180145262-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, TYR GABRG2 3781/4885GABRB3 2021/4885GABRA5 2679/4885
US-20030176437-A1 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death CASP2, CASP1, DAPK2 GABRG2 4521/4885GABRB3 4152/4885GABRA5 4414/4885
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death CASP2, CASP1, DAPK2 GABRG2 4521/4885GABRB3 4152/4885GABRA5 4414/4885
US-10777754-B2 Organic electroluminescent materials and devices DBF4, ORC3, NUDC GABRG2 1788/4885GABRB3 1432/4885GABRA5 1906/4885

“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.