SCHEMBL3552907

SCHEMBL3552907

Nc1ccccc1Cn1nnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TP53 P04637 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ SLC9A1 P19634 6/20 0.60
▸ GRM2 Q14416 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ PTK2 Q05397 3/20 0.51
▸ BRD4 O60885 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL23299012 0.82 KCNMA1 (0.54) KCNMA1ALDH1A1LMNATP53HPGD
SCHEMBL9303187 0.80 KCNMA1 (0.67) KCNMA1ALDH1A1LMNATP53HPGD
SCHEMBL27442555 0.78 KCNMA1 (0.59) KCNMA1ALDH1A1LMNATP53HPGD
SCHEMBL9302790 0.78 HPGD (1.00) KCNMA1ALDH1A1LMNATP53HPGD
SCHEMBL28345673 0.77 GRM2 (0.75) KCNMA1ALDH1A1SLC9A1GRM2TDP1
SCHEMBL13896899 0.76 KCNMA1 (0.61) KCNMA1ALDH1A1LMNATP53HPGD
SCHEMBL3878065 0.76 KCNMA1 (0.80) KCNMA1ALDH1A1LMNATP53HPGD
SCHEMBL18617433 0.76 ALDH1A1 (0.55) KCNMA1ALDH1A1LMNATP53HPGD
SCHEMBL24460754 0.75 GRM2 (0.68) KCNMA1ALDH1A1LMNATP53HPGD
SCHEMBL2734889 0.75 GRM2 (1.00) KCNMA1ALDH1A1SLC9A1GRM2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889836-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) EISAI R&D MAN CO LTD (JP) 2013-06-12 — — EP 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
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 — — EP 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
EP-2119706-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) 2009-11-18 — — EP disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 — — 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
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 — — US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 — — EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 — — EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 — — 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 (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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 KCNMA1 3328/4885ALDH1A1 557/4885LMNA 4875/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF KCNMA1 3195/4885ALDH1A1 930/4885LMNA 4870/4885
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 KCNMA1 3337/4885ALDH1A1 724/4885LMNA 4443/4885
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) HGF, MET, FLT4 KCNMA1 3691/4885ALDH1A1 899/4885LMNA 4844/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF KCNMA1 3519/4885ALDH1A1 887/4885LMNA 4860/4885

“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.

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