SCHEMBL1998529

SCHEMBL1998529

CC(=O)Oc1cc2nc[nH]c(=O)c2cc1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
PARP1 P09874 10/20 0.47
CHEK1 O14757 2/20 0.47
PIM1 P11309 2/20 0.47
RPS6KA3 P51812 1/20 0.47
IP6K1 Q92551 2/20 0.44
ALDH1A1 P00352 2/20 0.44
AKT1 P31749 1/20 0.44
FLT3 P36888 1/20 0.44
PIM3 Q86V86 1/20 0.44
SRC P12931 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDPK1 O15530 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
ACVR1 Q04771 1/20 0.40
TNFSF11 O14788 1/20 0.40

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
SCHEMBL297611 0.94 SRC (0.52) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL8960 0.94 SRC (0.52) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL3231833 0.92 SLC2A1 (0.47) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL4018984 0.91 SLC2A1 (0.46) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL3725738 0.91 SLC2A1 (0.46) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL27576840 0.90 SLC2A1 (0.50) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL13090425 0.90 SLC2A1 (0.50) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL4230774 0.86 SLC2A1 (0.42) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL4226040 0.85 IP6K1 (0.57) SLC2A1PARP1IP6K1ALOX15SMN1; SMN2
SCHEMBL5500065 0.85 SLC2A1 (0.46) SLC2A1PARP1CHEK1PIM1RPS6KA3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3015460-B1 PROCESS FOR THE PREPARATION OF ERLOTINIB CERBIOS-PHARMA S A (CH) 2017-05-17 EP disclosed
US-9452220-B2 Coupling compounds of NSAID anti-inflammatory and analgesic drugs and EGFR kinase inhibitors, synthesis methods and applications thereof GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-27 US disclosed
US-9428468-B2 Process for the preparation of erlotinib CERBIOS-PHARMA SA (CH) 2016-08-30 US disclosed
US-20160175453-A1 COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-23 US disclosed
EP-3015460-A1 PROCESS FOR THE PREPARATION OF ERLOTINIB Cerbios-Pharma S.A. (CH) 2016-05-04 EP disclosed
US-20160115137-A1 PROCESS FOR THE PREPARATION OF ERLOTINIB CERBIOS-PHARMA SA (CH) 2016-04-28 US disclosed
EP-2162444-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF ERLOTINIB HYDROCHLORIDE HETERO DRUGS LTD (IN) 2014-06-04 EP disclosed
US-8389531-B2 Process for erlotinib hydrochloride HETERO DRUGS LIMITED (IN) 2013-03-05 US disclosed
US-8343950-B2 Cell surface tyrosine receptor kinase inhibitors; pyrogen-free; lung cancer; benign prostatic hyperplasia CONCERT PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343950-B2 Cell surface tyrosine receptor kinase inhibitors; pyrogen-free; lung cancer; benign prostatic hyperplasia CONCERT PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20090306377-A1 NOVEL PROCESS FOR THE PREPARTION OF ERLOTINIB NATCO PHARMA LIMITED (IN) 2009-12-10 US disclosed
US-20090269354-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS, INC. (US) 2009-10-29 US disclosed
WO-2009121042-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS, INC. (US) 2009-10-01 WO disclosed
WO-2009007984-A2 AN IMPROVED PROCESS FOR ERLOTINIB HYDROCHLORIDE HETERO DRUGS LIMITED (IN) 2009-01-15 WO disclosed
US-20080166358-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS INC. (US) 2008-07-10 US disclosed
US-20080166358-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS INC. (US) 2008-07-10 US disclosed
US-20080166358-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS INC. (US) 2008-07-10 US disclosed
WO-2008076949-A2 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS INC. (US) 2008-06-26 WO disclosed
WO-2008076949-A2 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT CONCERT PHARMACEUTICALS INC. (US) 2008-06-26 WO disclosed
WO-2007060691-A2 A NOVEL PROCESS FOR THE PREPARATION OF ERLOTINIB NATCO PHARMA LIMITED (IN) 2007-05-31 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 (5 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 SLC2A1 3778/4885PARP1 1318/4885CHEK1 323/4885
US-20160175453-A1 COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF EGFR, CHUK, ERBB2 SLC2A1 3052/4885PARP1 3733/4885CHEK1 3185/4885
US-20090269354-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT ABL1, FLT3, GRK5 SLC2A1 2511/4885PARP1 2042/4885CHEK1 354/4885
US-20160115137-A1 PROCESS FOR THE PREPARATION OF ERLOTINIB EGFR, KRAS, MET SLC2A1 2124/4885PARP1 2825/4885CHEK1 252/4885
US-20080166358-A1 QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT ABL1, FLT3, GRK5 SLC2A1 2511/4885PARP1 2042/4885CHEK1 354/4885

“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.