SCHEMBL2186263

SCHEMBL2186263

Cc1ncc(C(=O)O)c(O)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 2/20 0.43
GABRP O00591 3/20 0.42
GABRD O14764 3/20 0.42
GABRA1 P14867 3/20 0.42
GABRB1 P18505 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
GABRA3 P34903 3/20 0.42
GABRA2 P47869 3/20 0.42
GABRB2 P47870 3/20 0.42
GABRA4 P48169 3/20 0.42
GABRE P78334 3/20 0.42
GABRA6 Q16445 3/20 0.42
GABRG1 Q8N1C3 3/20 0.42
GABRG3 Q99928 3/20 0.42
GABRQ Q9UN88 3/20 0.42
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL18299713 0.82 KDM4E (0.50) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL11783767 0.79 KDM4E (0.61) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL31974 0.77 KDM4E (0.49) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL10200721 0.77 KDM4E (0.49) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL11724124 0.77 KDM4E (0.53) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL26967875 0.77 GABRP (0.44) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL11562679 0.74 KDM4E (0.65) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL12507036 0.74 KDM4E (0.46) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL11718042 0.73 KDM4E (0.45) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL18507605 0.73 HPGD (0.36) KDM4EKMT2AHPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117440951-A Pyridone compounds and methods of use 埃克塞里艾克西斯公司 2024-01-23 CN disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed
EP-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
EP-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
EP-1790638-B1 CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2013-04-03 EP disclosed
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US disclosed
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US disclosed
US-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
EP-1950212-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE Shionogi Co., Ltd. (JP) 2008-07-30 EP disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 EP disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 EP disclosed
US-20070249687-A1 Carbamoylpyridone Derivatives Having Inhibitory Activity Against Hiv Integrase SHIONOGI & CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249687-A1 Carbamoylpyridone Derivatives Having Inhibitory Activity Against Hiv Integrase SHIONOGI & CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249687-A1 Carbamoylpyridone Derivatives Having Inhibitory Activity Against Hiv Integrase SHIONOGI & CO., LTD. (JP) 2007-10-25 US disclosed
EP-1790638-A1 CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY Shionogi Co., Ltd. (JP) 2007-05-30 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 (4 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-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 KDM4E 379/4885KMT2A 574/4885HPGD 2498/4885
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 KDM4E 286/4885KMT2A 215/4885HPGD 3780/4885
US-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX KDM4E 3309/4885KMT2A 3083/4885HPGD 1359/4885
US-20070249687-A1 Carbamoylpyridone Derivatives Having Inhibitory Activity Against Hiv Integrase CDKL4, CDKL5, CDKL1 KDM4E 249/4885KMT2A 2373/4885HPGD 4103/4885

“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.