Sugi Predict

Sugi Predict / Compounds / SCHEMBL5206196

SCHEMBL5206196

SCHEMBL5206196

O=C(O)Cn1ccc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ KCNJ6 P48051 1/20 0.46
▸ KCNJ5 P48544 1/20 0.46
▸ KCNJ3 P48549 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.43
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ GABRA4 P48169 1/20 0.43
▸ GABRE P78334 1/20 0.43
▸ GABRA6 Q16445 1/20 0.43

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
Methane SCHEMBL11623540 0.98 KMT2A (0.47) KMT2AKCNJ6KCNJ5KCNJ3HSD17B10
Ethane SCHEMBL11626038 0.97 KMT2A (0.50) KMT2AKCNJ6KCNJ5KCNJ3HSD17B10
Propane SCHEMBL11622678 0.95 KMT2A (0.49) KMT2AKCNJ6KCNJ5KCNJ3HSD17B10
SCHEMBL10439196 0.86 KMT2A (0.46) KMT2AKCNJ6KCNJ5KCNJ3GABRP
SCHEMBL17261550 0.83 GABRP (0.51) KMT2AHSD17B10GABRPGABRDGABRA1
SCHEMBL10277534 0.81 KMT2A (0.52) KMT2AKCNJ6KCNJ5KCNJ3HSD17B10
SCHEMBL2432417 0.81 PTGS1 (0.56) KMT2AKDM4ENPC1ALDH1A1LMNA
SCHEMBL10247832 0.80 GABRA1 (0.59) KMT2AHSD17B10ALOX15GABRPGABRD
SCHEMBL28721457 0.80 KDM4C (0.40) KCNJ6KCNJ5KCNJ3HSD17B10ALOX15
SCHEMBL9384038 0.80 KMT2A (0.55) KMT2AKCNJ6KCNJ5KCNJ3HSD17B10

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-20190008866-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-01-10 — — US disclosed
EP-3089970-B1 DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-17 — — EP disclosed
US-10085985-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-10-02 — — US disclosed
EP-2670765-B1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-10-18 — — EP disclosed
CN-103811185-B Organic dye compound and dye-sensitized solar cell comprising same 大邱庆北科学技术院 2017-03-01 — — CN disclosed
US-20160331749-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2016-11-17 — — US disclosed
EP-3089970-A1 DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-11-09 — — EP disclosed
CN-105939996-A Dihydropyridone and dihydropyridazinone derivatives as bromodomain inhibitors 艾伯维公司 2016-09-14 — — CN disclosed
US-9428514-B2 Bromodomain inhibitors ABBVIE INC. (US) 2016-08-30 — — US disclosed
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 — — US disclosed
CN-1481379-A Substituted pyrrolidines as CCR-3 receptor antagonists - 2004-03-10 — — CN disclosed
EP-1358181-A1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 — — EP disclosed
US-20030199532-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists KERTESZ DENIS JOHN (US) 2003-10-23 — — US disclosed
US-6552028-B2 Inhibiting the binding of eotaxin to chemokine-3 (ccr-3) receptor; antiasthmatics SYNTEX (U.S.A.) LLC 2003-04-22 — — US disclosed
US-20020198255-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2002-12-26 — — US disclosed
WO-2002050064-A1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 — — WO disclosed
CN-1331677-A Pyrrolidine derivatives-CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2002-01-16 — — CN disclosed
EP-1131288-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 — — EP disclosed
US-6166015-A Pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) INC. (US) 2000-12-26 — — US disclosed
WO-2000031032-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-02 — — 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 (6 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-10085985-B2 Bromodomain inhibitors BRD4, BRD3, BRD1 KMT2A 383/4885KCNJ6 3130/4885KCNJ5 3058/4885
US-20030199532-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 KMT2A 3324/4885KCNJ6 2105/4885KCNJ5 1597/4885
US-20190008866-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 KMT2A 383/4885KCNJ6 3130/4885KCNJ5 3058/4885
US-20160331749-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 KMT2A 383/4885KCNJ6 3130/4885KCNJ5 3058/4885
US-20160151387-A1 COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, HSD17B7 KMT2A 4371/4885KCNJ6 4286/4885KCNJ5 4051/4885
US-20020198255-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 KMT2A 3324/4885KCNJ6 2105/4885KCNJ5 1597/4885

“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.