SCHEMBL10044320

SCHEMBL10044320

CS(=O)(=O)c1ccc(-n2cncc2-c2ccccc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
PTGS1 P23219 1/20 0.45
ALOX5 P09917 1/20 0.41
LDLR P01130 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41

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
SCHEMBL29849010 0.88 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL10044321 0.88 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL15210053 0.87 IDO1 (0.50) PTGS2PTGS1
SCHEMBL10044317 0.87 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL15207493 0.85 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL15208342 0.85 PTGS1 (0.49) PTGS2PTGS1
SCHEMBL15209305 0.85 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL15207610 0.84 IDO1 (0.39)
SCHEMBL15208438 0.84 ALDH1A1 (0.42) PTGS2
SCHEMBL15207363 0.83 PTGS2 (0.49) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2636672-B1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF BEIJING ORBIEPHARM CO LTD (CN) 2016-05-18 EP claimed
US-20140045901-A2 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF BEIJING ORBIEPHARM CO., LTD (CN) 2014-02-13 US claimed
EP-2636672-A1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF Beijing Orbiepharm Co., Ltd. (CN) 2013-09-11 EP claimed
US-20130225638-A1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF BEIJING ORBIEPHARM CO., LTD (CN) 2013-08-29 US claimed
CN-102464652-A Imidazole derivative, preparation method and application BEIJING ORBIEPHARM CO LTD 2012-05-23 CN claimed
EP-2636672-B1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF BEIJING ORBIEPHARM CO LTD (CN) 2016-05-18 EP disclosed
EP-2636672-B1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF BEIJING ORBIEPHARM CO LTD (CN) 2016-05-18 EP disclosed
US-9079876-B2 Imidazole derivatives and preparation method and use thereof BEIJING ORBIEPHARM CO., LTD. (CN) 2015-07-14 US disclosed
US-9079876-B2 Imidazole derivatives and preparation method and use thereof BEIJING ORBIEPHARM CO., LTD. (CN) 2015-07-14 US disclosed
US-9079876-B2 Imidazole derivatives and preparation method and use thereof BEIJING ORBIEPHARM CO., LTD. (CN) 2015-07-14 US disclosed
US-20140045901-A2 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF BEIJING ORBIEPHARM CO., LTD (CN) 2014-02-13 US disclosed
US-20140045901-A2 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF BEIJING ORBIEPHARM CO., LTD (CN) 2014-02-13 US disclosed
EP-2636672-A1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF Beijing Orbiepharm Co., Ltd. (CN) 2013-09-11 EP disclosed
EP-2636672-A1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF Beijing Orbiepharm Co., Ltd. (CN) 2013-09-11 EP disclosed
US-20130225638-A1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF BEIJING ORBIEPHARM CO., LTD (CN) 2013-08-29 US disclosed
US-20130225638-A1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF BEIJING ORBIEPHARM CO., LTD (CN) 2013-08-29 US disclosed
US-20130225638-A1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF BEIJING ORBIEPHARM CO., LTD (CN) 2013-08-29 US disclosed
CN-102464652-B Imidazole derivative and preparation method as well application BEIJING ORBIEPHARM CO LTD 2013-08-28 CN disclosed
CN-102464652-A Imidazole derivative, preparation method and application BEIJING ORBIEPHARM CO LTD 2012-05-23 CN disclosed
WO-2012059001-A1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 北京欧博方医药科技有限公司 (CN) 2012-05-10 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 (2 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-20130225638-A1 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF PTGIS, PTGS1, PTGS2 PTGS2 3/4885PTGS1 2/4885ALOX5 41/4885
US-20140045901-A2 IMIDAZOLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF PTGIS, PTGS1, PTGS2 PTGS2 3/4885PTGS1 2/4885ALOX5 41/4885

“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.