SCHEMBL857517

SCHEMBL857517

Cc1ncnc(Cl)c1C(C)C

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL4762116 0.89
SCHEMBL2059090 0.85 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL9289716 0.83 KDM5B (0.33)
SCHEMBL3794331 0.79 SELE (0.32)
SCHEMBL7505706 0.77 AKR1C3 (0.32) PDE4D
SCHEMBL6033524 0.76 ADORA2A (0.35)
SCHEMBL855747 0.75 PDE4A (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL22102953 0.74 KDM5B (0.30)
SCHEMBL21919664 0.74
SCHEMBL16591439 0.73 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2078721-B1 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2014-01-22 EP disclosed
EP-2643319-A1 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012074869-A1 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-06-07 WO disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
CN-102459249-A Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases EXELIXIS INC 2012-05-16 CN disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
EP-2078721-A2 Thieno-pyrimidime compounds having fungicidal activity Dow AgroSciences LLC (US) 2009-07-15 EP disclosed
US-7531482-B2 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2009-05-12 US disclosed
EP-1937691-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2008-07-02 EP disclosed
US-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2007-04-26 US disclosed
WO-2007046809-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2007-04-26 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 (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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PDE4A 1259/4885PDE4B 1027/4885PDE4C 1349/4885
US-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS PDE4A 573/4885PDE4B 388/4885PDE4C 506/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PDE4A 1188/4885PDE4B 958/4885PDE4C 1209/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PDE4A 924/4885PDE4B 817/4885PDE4C 1052/4885

“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.