SCHEMBL1893901

SCHEMBL1893901

CC/C(=C\C(=O)O)c1c(Oc2ccc(N)cc2)ccnc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.35
EGFR P00533 1/20 0.35
AURKA O14965 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31

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
SCHEMBL1897541 0.87 PDGFRA (0.41) MAPTMEN1KMT2APDGFRAKDR
SCHEMBL1897756 0.83 KDR (0.49) PDGFRAKDR
SCHEMBL1893903 0.74 BTK (0.35) BTKEGFRAURKANPC1RAB9A
SCHEMBL3503205 0.71 HTT (0.41) BTKEGFRAURKAMAPTMEN1
SCHEMBL3503209 0.71 HTT (0.41) BTKEGFRAURKAMAPTMEN1
SCHEMBL27944963 0.69 PARP10 (0.46) BTKAURKAMAPTMEN1APAF1
SCHEMBL10638510 0.68 LMNA (0.46) NPC1RAB9AMAPTTSHRMAOA
SCHEMBL1178330 0.68 LMNA (0.46) NPC1RAB9AMAPTTSHRMAOA
SCHEMBL1893902 0.68 MAOB (0.39) BTKNPC1RAB9AMAPTTSHR
SCHEMBL1893900 0.68 MAOB (0.39) BTKNPC1RAB9AMAPTTSHR

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-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
EP-1506962-B1 Nitrogen-containing aromatic heterocycles EISAI R&D MAN CO LTD (JP) 2008-07-02 EP disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 US disclosed
EP-1777218-A1 Process for the preparation of 4-phenoxy quinoline derivatives Eisai R&D Management Co., Ltd. (JP) 2007-04-25 EP disclosed
EP-1506962-A2 Nitrogen-containing aromatic heterocycles Eisai Co. Ltd. (JP) 2005-02-16 EP disclosed
EP-1415987-A1 NITROGENOUS AROMATIC RING COMPOUNDS Eisai Co., Ltd. (JP) 2004-05-06 EP disclosed
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-03-18 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 (3 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-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 BTK 4736/4885EGFR 790/4885AURKA 1006/4885
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective VEGFA, UACA, UTS2R BTK 4266/4885EGFR 331/4885AURKA 2691/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 BTK 4726/4885EGFR 795/4885AURKA 1136/4885

“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.