SCHEMBL5773989

SCHEMBL5773989

COc1cc([NH])c2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
TDP1 Q9NUW8 3/20 0.50
HSP90AA1 P07900 3/20 0.50
HSP90AB1 P08238 3/20 0.50
SLC40A1 Q9NP59 2/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
IDO1 P14902 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
CXCR2 P25025 1/20 0.48
AGTR1 P30556 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL29828916 0.81 CYP1A2 (0.52) CYP1A2KMT2AMEN1TDP1HSP90AA1
SCHEMBL4810431 0.81 CYP1A2 (0.52) CYP1A2KMT2AMEN1TDP1HSP90AA1
SCHEMBL1556194 0.81 CYP1A2 (0.52) CYP1A2KMT2AMEN1TDP1HSP90AA1
SCHEMBL13219481 0.81 CYP1A2 (0.52) CYP1A2KMT2AMEN1TDP1HSP90AA1
SCHEMBL3563100 0.79 KMT2A (0.55) CYP1A2KMT2AMEN1TDP1HSP90AA1
SCHEMBL454942 0.79 CYP1A2 (0.55) CYP1A2KMT2AMEN1TDP1HSP90AA1
SCHEMBL6573464 0.79 KDM4E (0.65) CYP1A2KMT2AMEN1TDP1HSP90AA1
SCHEMBL18434372 0.79 CYP1A2 (0.61) CYP1A2KMT2AMEN1TDP1HSP90AA1
Bromide SCHEMBL1143538 0.78 CYP1A2 (0.53) CYP1A2KMT2AMEN1TDP1HSP90AA1
SCHEMBL13437127 0.78 CYP1A2 (0.50) CYP1A2KMT2AMEN1TDP1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224189-B1 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 LILLY CO ELI (US) 2006-01-25 EP claimed
US-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 US claimed
US-6670373-B1 Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide ELI LILLY AND COMPANY 2003-12-30 US claimed
EP-1067928-A4 METHODS FOR INHIBITING MRP1 LILLY CO ELI (US) 2001-11-14 EP claimed
EP-1067928-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-01-17 EP claimed
WO-1999051228-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 1999-10-14 WO claimed
EP-1224189-B1 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 LILLY CO ELI (US) 2006-01-25 EP disclosed
US-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 US disclosed
US-6670373-B1 Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide ELI LILLY AND COMPANY 2003-12-30 US disclosed
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 EP disclosed
US-6369070-B1 Methods for inhibiting mrp1 ELI LILLY AND COMPANY 2002-04-09 US disclosed
EP-1067928-A4 METHODS FOR INHIBITING MRP1 LILLY CO ELI (US) 2001-11-14 EP disclosed
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 WO disclosed
EP-1067928-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-01-17 EP disclosed
WO-1999051228-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 1999-10-14 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 (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-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 CYP1A2 877/4885KMT2A 3995/4885MEN1 1445/4885

“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.