SCHEMBL4333075

SCHEMBL4333075

CN(Cc1ccccc1)C[C@H](O)CN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 2/20 0.61
DNM1 Q05193 1/20 0.60
AGER Q15109 1/20 0.54
HRH3 Q9Y5N1 1/20 0.52
ALOX15 P16050 1/20 0.48
TSHR P16473 3/20 0.48
HSD17B10 Q99714 2/20 0.48
RAB9A P51151 1/20 0.48
LTA4H P09960 1/20 0.48
CYP2D6 P10635 2/20 0.48
HIF1A Q16665 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
OPRK1 P41145 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL4338285 1.00 KMT2A (0.61) KMT2AALDH1A1KDM4EMEN1DNM1
SCHEMBL5477835 0.86 HRH3 (0.50) KMT2AALDH1A1KDM4EMEN1DNM1
SCHEMBL5477831 0.86 HRH3 (0.50) KMT2AALDH1A1KDM4EMEN1DNM1
Hydrochloric Acid SCHEMBL5551349 0.85 DNM1 (0.54) KMT2AALDH1A1KDM4EMEN1DNM1
SCHEMBL16625784 0.79 KMT2A (0.47) KMT2AALDH1A1KDM4EMEN1DNM1
SCHEMBL5556111 0.78 DNM1 (0.47) KMT2AALDH1A1KDM4EMEN1DNM1
SCHEMBL18219844 0.77 HRH3 (0.59) KMT2AALDH1A1MEN1HRH3TSHR
SCHEMBL14923120 0.76 DNM1 (0.59) KMT2AALDH1A1KDM4EMEN1DNM1
SCHEMBL721952 0.76 DNM1 (0.59) KMT2AALDH1A1KDM4EMEN1DNM1
SCHEMBL17823521 0.76 DNM1 (0.59) KMT2AALDH1A1KDM4EMEN1DNM1

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
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 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-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-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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US 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 (2 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 KMT2A 4095/4885ALDH1A1 557/4885KDM4E 4069/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF KMT2A 4080/4885ALDH1A1 930/4885KDM4E 4122/4885

“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.