SCHEMBL160404

SCHEMBL160404

S=Cc1ncnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
ADORA2A P29274 2/20 0.47
EGFR P00533 3/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
DAPK3 O43293 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
ERBB2 P04626 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
LTK P29376 1/20 0.43
MAPK8 P45983 1/20 0.43
CSNK1A1 P48729 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
SCHEMBL10703592 0.79 SMN1; SMN2 (0.50) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL1068372 0.79 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL11821044 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL3075421 0.70 ADORA2A (0.75) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL6371765 0.68 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL3047080 0.68 ADORA2A (0.47) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL637552 0.67 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL25620 0.67 PDE4A (1.00) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL3951708 0.67 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL2010225 0.67 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A

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-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US disclosed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
CN-102633730-A Substituted piperazines as cb1 antagonists SCHERING CORP 2012-08-15 CN disclosed
CN-102558075-A Substituted piperazines as CB1 antagonists SCHERING CORP 2012-07-11 CN disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 US disclosed
CN-101297969-B Combinations of the peroxisome proliferator-activated receptor (PPAR) activator fenofibrate with sterol absorption inhibitor ezetimibe for vascular indications SCHERING CORP 2011-03-09 CN disclosed
CN-1915429-B Combinations of the peroxisome proliferator-activated receptor (ppar) activator and sterol absorption inhibitor SCHERING CORP 2010-12-15 CN disclosed
CN-101785772-A Methods for treating or preventing vascular inflammation using sterol absorption inhibitor(s) SCHERING CORP 2010-07-28 CN disclosed
CN-100571701-C Therapeutic articles for treating beta amyloid related diseases NEUROCHEM INTERNAT LTD (CH) 2009-12-23 CN disclosed
CN-1756756-A Substituted azetidinone compounds, formulations and uses thereof for the treatment of hypercholesterolemia SCHERING CORP (US) 2006-04-05 CN disclosed
CN-1756755-A Substituted azetidinone compounds, formulations and uses thereof for the treatment of hypercholesterolemia SCHERING CORP (US) 2006-04-05 CN disclosed
CN-1753675-A Therapeutic articles for treating beta amyloid related diseases NEUROCHEM INTERNAT LTD (CH) 2006-03-29 CN disclosed
CN-1659161-A Piperidine derivatives having CCR3 antagonism TEIJIN LTD (JP) 2005-08-24 CN disclosed
CN-1646165-A Combinations of peroxisome proliferator-activated receptor (PPAR) activators and sterol absorption inhibitors and treatment of vascular indications SCHERING CORP (US) 2005-07-27 CN disclosed
CN-1582168-A Combinations of sterol absorption inhibitor(s) with cardiovascular agent(s) for the treatment of vascular conditions SCHERING CORP (US) 2005-02-16 CN disclosed
CN-1556700-A Methods of treating or preventing vasculitis using sterol absorption inhibitors ���鹫˾ 2004-12-22 CN disclosed
CN-1527707-A The use of substituted azetidinone compounds for the treatment of sitosterolemia ���鹫˾ 2004-09-08 CN disclosed
CN-1137100-C Tricyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family ��ʲ 2004-02-04 CN disclosed
CN-1139430-A Tricyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family WARNER LAMBERT CO (US) 1997-01-01 CN 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 (1 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-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, TYK2 PI4KA 263/4885PI4K2B 310/4885PI4K2A 241/4885

“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.