SCHEMBL4565100

SCHEMBL4565100

O=c1nc[nH]c2cc(O)c(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
SRC P12931 5/20 0.42
PRKACA P17612 4/20 0.41
PRKACG P22612 4/20 0.41
PRKACB P22694 4/20 0.41
GPR35 Q9HC97 1/20 0.37
PARP1 P09874 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
PNP P00491 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
PRNP P04156 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
QPCT Q16769 1/20 0.33

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
Bromide SCHEMBL2051879 0.98 BCL2 (0.43) BCL2MCL1SRCPRKACAPRKACG
SCHEMBL1805702 0.81 QPCT (0.39) BCL2MCL1SRCALDH1A1HPGD
SCHEMBL4371995 0.80 CYP3A4 (0.40) BCL2MCL1GPR35PARP1LMNA
SCHEMBL1663176 0.77 LMNA (0.51) PARP1LMNAMEN1KMT2APOLB
SCHEMBL2574527 0.77 LMNA (0.57) PARP1LMNAMEN1KMT2APOLB
SCHEMBL3429702 0.76 MAPT (0.43) BCL2MCL1PARP1MEN1KMT2A
SCHEMBL8934855 0.76 MAPT (0.53) PARP1MEN1KMT2APNPALDH1A1
SCHEMBL22962863 0.76 PARP1 (0.41) PARP1MEN1KMT2APNPALDH1A1
SCHEMBL30882780 0.73 PDE3B (0.44) PARP1LMNAMEN1KMT2APOLB
SCHEMBL29258736 0.73 PDE3B (0.44) PARP1LMNAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306377-A1 NOVEL PROCESS FOR THE PREPARTION OF ERLOTINIB NATCO PHARMA LIMITED (IN) 2009-12-10 US disclosed
EP-1994021-A2 QUINAZOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-26 EP disclosed
EP-1991531-A1 CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
EP-1940819-A1 PHOSPHODIESTERASE 10 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
US-20070265258-A1 Quinazoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007103370-A2 QUINAZOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 WO disclosed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 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 (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-20090306377-A1 NOVEL PROCESS FOR THE PREPARTION OF ERLOTINIB ERBB4, ABL1, KRAS BCL2 3798/4885MCL1 252/4885SRC 308/4885
US-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A BCL2 3295/4885MCL1 2347/4885SRC 4187/4885
US-20070287707-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A BCL2 3973/4885MCL1 2445/4885SRC 4115/4885
US-20070265258-A1 Quinazoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE5A, PDE7A BCL2 4005/4885MCL1 2291/4885SRC 4338/4885

“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.