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Sugi Predict / Compounds / SCHEMBL3558737

SCHEMBL3558737

SCHEMBL3558737

CN1CCC(N(C)C(=O)Nc2cc(Oc3ccc(NC(=O)C4(C(=O)NCC(C)(C)C)CC4)c(F)c3)ccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 17/20 0.55
▸ MET P08581 4/20 0.55
▸ MAPK14 Q16539 3/20 0.55
▸ NTRK1 P04629 2/20 0.55
▸ EPHB6 O15197 1/20 0.55
▸ RIPK2 O43353 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ LYN P07948 1/20 0.55
▸ RET P07949 1/20 0.55
▸ HCK P08631 1/20 0.55
▸ PDGFRB P09619 1/20 0.55
▸ BCR P11274 1/20 0.55
▸ EPHA2 P29317 1/20 0.55
▸ EPHB2 P29323 1/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ ABL2 P42684 1/20 0.55
▸ FRK P42685 1/20 0.55
▸ LIMK1 P53667 1/20 0.55
▸ EPHB3 P54753 1/20 0.55

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
SCHEMBL3556039 0.90 KDR (0.64) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3553760 0.89 KDR (0.58) KDRMETMAPK14NTRK1EPHB6
SCHEMBL4666863 0.89 KDR (0.54) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3554136 0.89 KDR (0.58) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3552883 0.89 KDR (0.54) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3554572 0.88 KDR (0.58) KDRMETMAPK14NTRK1EPHB6
SCHEMBL2253552 0.87 KDR (0.63) KDRMETMAPK14NTRK1EPHB6
SCHEMBL2256819 0.87 MET (0.71) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3557676 0.87 KDR (0.56) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3552090 0.86 KDR (0.58) KDRMETMAPK14NTRK1EPHB6

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
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 — — US disclosed
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 — — US disclosed
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 — — US disclosed
US-20120232049-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-13 — — US disclosed
US-20120232049-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-13 — — US disclosed
US-7855290-B2 N-[4-({2-[({4-[2-(Dimethylamino)ethyl]piperazin-1-yl}carbonyl)amino]pyridin-4-yl}oxy)-2-fluorophenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; hepatocyte growth factor receptor (HGFR) inhibitors; antitumor, -carcinogenic, -metastasis agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-21 — — US disclosed
US-7855290-B2 N-[4-({2-[({4-[2-(Dimethylamino)ethyl]piperazin-1-yl}carbonyl)amino]pyridin-4-yl}oxy)-2-fluorophenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; hepatocyte growth factor receptor (HGFR) inhibitors; antitumor, -carcinogenic, -metastasis agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-21 — — US disclosed
US-7855290-B2 N-[4-({2-[({4-[2-(Dimethylamino)ethyl]piperazin-1-yl}carbonyl)amino]pyridin-4-yl}oxy)-2-fluorophenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; hepatocyte growth factor receptor (HGFR) inhibitors; antitumor, -carcinogenic, -metastasis agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-21 — — US disclosed
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) MATSUSHIMA TOMOHIRO 2010-03-25 — — US disclosed
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) MATSUSHIMA TOMOHIRO 2010-03-25 — — US disclosed
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) MATSUSHIMA TOMOHIRO 2010-03-25 — — US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 — — US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 — — US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 — — US disclosed
EP-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 — — 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 (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-20120232049-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE HGF, MET, MKI67 KDR 119/4885MET 2/4885MAPK14 2079/4885
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) HGF, MET, FLT4 KDR 8/4885MET 2/4885MAPK14 1853/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF KDR 9/4885MET 2/4885MAPK14 1732/4885

“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.