SCHEMBL2113536

SCHEMBL2113536

CC(C)n1c(C(=O)N(C)C)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.35
PIK3CB P42338 2/20 0.34
HSP90AA1 P07900 2/20 0.33
MDM2 Q00987 1/20 0.33
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
PREP P48147 1/20 0.32
MAPK1 P28482 1/20 0.31
TNIK Q9UKE5 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL4494946 0.92 AKR1B1 (0.33) AKR1B1PIK3CBHSP90AA1HTR2AGRM2
SCHEMBL4494915 0.92 AKR1B1 (0.33) AKR1B1PIK3CBHSP90AA1MDM2HTR2A
SCHEMBL4482041 0.89 AKR1B1 (0.39) AKR1B1MAPK1
SCHEMBL4479511 0.89 AKR1B1 (0.36) AKR1B1PIK3CBHTR2AGRM2PIK3CA
SCHEMBL31060990 0.89 AKR1B1 (0.36) AKR1B1PIK3CBHTR2AGRM2PIK3CA
SCHEMBL4489034 0.89 AKR1B1 (0.38) AKR1B1HSP90AA1HTR2AGRM2PIK3CA
SCHEMBL4481021 0.88 AKR1B1 (0.35) AKR1B1PIK3CBHSP90AA1HTR2AGRM2
SCHEMBL4488414 0.88 AKR1B1 (0.35) AKR1B1PIK3CBHTR2AGRM2PIK3CA
SCHEMBL4483837 0.87 AKR1B1 (0.36) AKR1B1PIK3CBHTR2AGRM2PIK3CA
SCHEMBL4490977 0.86 AKR1B1 (0.42) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012095388-A2 COMPOUNDS FOR TREATMENT OF FELINE LEUKEMIA IN FELIDAE Universität Zürich (CH) 2012-07-19 WO claimed
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US claimed
WO-2010114919-A2 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER STC.UNM (US) 2010-10-07 WO claimed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
WO-2005087767-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
US-20140243348-A1 COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-08-28 US disclosed
WO-2013028297-A1 COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-28 WO disclosed
WO-2012095388-A2 COMPOUNDS FOR TREATMENT OF FELINE LEUKEMIA IN FELIDAE Universität Zürich (CH) 2012-07-19 WO disclosed
WO-2012095388-A2 COMPOUNDS FOR TREATMENT OF FELINE LEUKEMIA IN FELIDAE Universität Zürich (CH) 2012-07-19 WO disclosed
WO-2010017056-A1 ORALLY ADMINISTERED SOLID FORMULATIONS CONTAINING A HYDROPHOBIC DRUG AND TPGS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2006107478-A2 CRYSTALLINE SODIUM SALT OF AN HIV INTEGRASE INHIBITOR MERCK & CO., INC. (US) 2006-10-12 WO disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO disclosed
WO-2005087767-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 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 (3 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-20140243348-A1 COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES EBNA1BP2, RPL17, TK2 AKR1B1 2717/4885PIK3CB 277/4885HSP90AA1 934/4885
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 AKR1B1 2301/4885PIK3CB 2320/4885HSP90AA1 1812/4885
US-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H AKR1B1 2248/4885PIK3CB 259/4885HSP90AA1 2177/4885

“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.