SCHEMBL1591706

SCHEMBL1591706

O=[N+]([O-])c1ccccc1Oc1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
ALDH1A1 P00352 3/20 0.57
GAA P10253 1/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 1/20 0.54
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RECQL P46063 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
ESR2 Q92731 1/20 0.45
NPY1R P25929 1/20 0.44
NPY5R Q15761 1/20 0.44
PIN1 Q13526 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7463007 0.84 HPGD (0.54) POLBALDH1A1GAAHTTL3MBTL1
SCHEMBL4486934 0.83 PDGFRA (0.61) ALDH1A1L3MBTL1TDP1
SCHEMBL4364077 0.82 POLB (0.48) POLBALDH1A1HTTNPC1RAB9A
SCHEMBL9431770 0.82 NCF1 (0.54) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7466174 0.81 GAA (0.66) ALDH1A1GAAHTTL3MBTL1HPGD
SCHEMBL7888930 0.80 NPC1 (0.58) POLBALDH1A1HTTNPC1RAB9A
SCHEMBL39472 0.80 HPGD (0.78) POLBALDH1A1GAAHTTL3MBTL1
SCHEMBL4934776 0.79 HTT (0.53) POLBALDH1A1HTTRAB9ATDP1
SCHEMBL1882505 0.79 ALDH1A1 (0.58) POLBALDH1A1GAAHTTL3MBTL1
SCHEMBL29576779 0.79 POLB (0.44) POLBALDH1A1GAAHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017496-B2 Uracil derivatives as AXL and c-MET kinase inhibitors IGNYTA, INC. (US) 2018-07-10 US disclosed
CN-108047201-A Uracil derivative as AXL and c-MET kinase inhibitors 亚尼塔公司 2018-05-18 CN disclosed
US-20170320853-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS IGNYTA, INC. (US) 2017-11-09 US disclosed
CN-103958497-B uracil derivatives as AXL and c-MET kinase inhibitors 亚尼塔公司 2017-09-01 CN disclosed
US-9745283-B2 Uracil derivatives as AXL and c-MET kinase inhibitors IGNYTA, INC. (US) 2017-08-29 US disclosed
US-20170050949-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS CEPHALON, INC. 2017-02-23 US disclosed
US-9522902-B2 Uracil derivatives as AXL and c-MET kinase inhibitors IGNYTA, INC. (US) 2016-12-20 US disclosed
EP-2780338-B1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS IGNYTA INC (US) 2016-11-09 EP disclosed
EP-3045453-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS CEPHALON, INC. (US) 2016-07-20 EP disclosed
US-9206130-B2 Quinoline derivatives as AXL kinase inhibitors MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-08 US disclosed
EP-1384712-A1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-28 EP disclosed
EP-1382604-A1 QUINOLINE DERIVATIVE HAVING AZOLYL GROUP AND QUINAZOLINE DERIVATIVE KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-21 EP disclosed
EP-1153920-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BREWERY (JP) 2003-10-29 EP disclosed
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (JP) 2003-05-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
EP-0860433-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BREWERY (JP) 2002-07-03 EP disclosed
CN-1344254-A Quinoline derivatives and quinazoline derivatives KIRIN BREWERY (JP) 2002-04-10 CN disclosed
EP-1153920-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2001-11-14 EP disclosed
US-6143764-A ETHER DERIVATIVES OF QUINOLINE, ANTITUMOR AGENTS KIRIN BEER KABUSHIKI KAISHA (JP) 2000-11-07 US disclosed
EP-0860433-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-26 EP 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-20170050949-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS AXL, RET, BRAF POLB 552/4885ALDH1A1 1561/4885GAA 2504/4885
US-20170320853-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS AXL, RET, FLT3 POLB 838/4885ALDH1A1 1198/4885GAA 2495/4885
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS POLB 4121/4885ALDH1A1 1234/4885GAA 2858/4885
US-10017496-B2 Uracil derivatives as AXL and c-MET kinase inhibitors AXL, RET, FLT3 POLB 838/4885ALDH1A1 1198/4885GAA 2495/4885

“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.