SCHEMBL4072186

SCHEMBL4072186

c1ccc(-c2ccc3c(c2)Nc2ccccc2O3)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.52
HTR7 P34969 2/20 0.40
HTR2B P41595 1/20 0.40
PDK2 Q15119 1/20 0.39
AURKA O14965 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
BACE1 P56817 1/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL22902405 0.77 ALOX5 (0.63) ALOX5HTR7HTR2BKDM4ENPC1
SCHEMBL24042750 0.75 PDK2 (0.43) PDK2AURKAPOLBKDM4ELMNA
SCHEMBL21392340 0.75 BACE1 (0.44) PDK2AURKAPOLBKDM4ELMNA
SCHEMBL12405077 0.74 MAPT (0.58) KDM4ELMNANPC1MAPTRAB9A
SCHEMBL16801095 0.74 PDK2 (0.46) PDK2AURKAPOLBKDM4ELMNA
SCHEMBL17482813 0.73 PDK2 (0.44) HTR7PDK2AURKAPOLBKDM4E
SCHEMBL28916089 0.73 ALOX5 (0.57) ALOX5HTR7HTR2BKDM4E
SCHEMBL4072185 0.73 ALOX5 (0.47) ALOX5HTR7POLBKDM4ELMNA
SCHEMBL17482788 0.73 PDK2 (0.45) PDK2AURKAPOLBKDM4ELMNA
SCHEMBL4074615 0.73 ALOX5 (0.47) ALOX5HTR7POLBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
EP-1874731-A4 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS INC (US) 2009-08-05 EP disclosed
US-7402579-B2 Quinobenzoxazine analogs and compositions CYLENE PHARMACEUTICALS, INC. (US) 2008-07-22 US disclosed
EP-1874731-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF Cylene Pharmaceuticals, Inc. (US) 2008-01-09 EP disclosed
US-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYLENE PHARMACEUTICALS, INC. 2006-11-23 US disclosed
WO-2006113509-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2006-10-26 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 (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-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYP2W1, NQO2, UGT2B7 ALOX5 329/4885HTR7 848/4885HTR2B 188/4885
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYP2W1, NQO2, UGT2B7 ALOX5 329/4885HTR7 848/4885HTR2B 188/4885

“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.