SCHEMBL256397

SCHEMBL256397

O=C(O)Cc1cc2nc[nH]c(=O)c2cc1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.50
IP6K1 Q92551 6/20 0.49
IP6K3 Q96PC2 3/20 0.49
IP6K2 Q9UHH9 3/20 0.49
PARP1 P09874 9/20 0.49
SLC2A1 P11166 1/20 0.48
CHEK1 O14757 2/20 0.45
PIM1 P11309 2/20 0.45
ALDH1A1 P00352 1/20 0.45
AKT1 P31749 1/20 0.45
FLT3 P36888 1/20 0.45
PIM3 Q86V86 1/20 0.45
RPS6KA3 P51812 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
PDPK1 O15530 1/20 0.42
CA12 O43570 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL27576841 0.89 PARP1 (0.49) ROCK2IP6K1IP6K3IP6K2PARP1
SCHEMBL12304875 0.81 PARP1 (0.53) ROCK2IP6K1IP6K3IP6K2PARP1
SCHEMBL496967 0.78 IP6K1 (0.65) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL12332880 0.75 PARP1 (0.46) ROCK2IP6K1IP6K3IP6K2PARP1
SCHEMBL12304877 0.74 PARP1 (0.53) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL12788028 0.74 PARP1 (0.53) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL12304872 0.73 PARP1 (0.51) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL12788049 0.73 PARP1 (0.51) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL27848525 0.73 BCL2 (0.48) ROCK2IP6K1PARP1SLC2A1PIM1
SCHEMBL28794202 0.72 PARP1 (0.54) IP6K1PARP1PIM1RPS6KA3PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012028861-A1 PURE ERLOTINIB GENERICS [UK] LIMITED (GB) 2012-03-08 WO disclosed
US-7960545-B2 Process for the prepartion of erlotinib NATCO PHARMA LIMITED (IN) 2011-06-14 US disclosed
US-20090306377-A1 NOVEL PROCESS FOR THE PREPARTION OF ERLOTINIB NATCO PHARMA LIMITED (IN) 2009-12-10 US 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-20090306377-A1 NOVEL PROCESS FOR THE PREPARTION OF ERLOTINIB ERBB4, ABL1, KRAS ROCK2 2123/4885IP6K1 1335/4885IP6K3 1020/4885

“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.