SCHEMBL12224263

SCHEMBL12224263

COCCOc1cnc(-c2cccc(Cc3nnc4ccc(C(=O)OC)nn34)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.43
PIM1 P11309 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CREBBP Q92793 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL12245314 0.94 MET (0.42) MET
SCHEMBL2454419 0.93 MET (0.45) MET
SCHEMBL12245596 0.91 FYN (0.41) METKDM4EALDH1A1
SCHEMBL12224266 0.91 MET (0.41) METPIM1
SCHEMBL2531288 0.90 MET (0.40) METKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12224264 0.88 MET (0.43) MET
SCHEMBL12224223 0.88 MET (0.43) METKDM4EALDH1A1HPGDALOX15
SCHEMBL2527084 0.88 MET (0.44) MET
SCHEMBL2529553 0.87 MET (0.42) MET
SCHEMBL14724340 0.87 MET (0.42) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426397-B2 3 (3-pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-23 US disclosed
US-8426397-B2 3 (3-pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-23 US disclosed
EP-2367827-B1 3-(3-PYRIMIDINE-2-YL-BENZYL)-[1,2,4]TRIAZOLO [4,3-b]PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-02-27 EP disclosed
US-20110257173-A1 3 (3-Pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK PATENT GMBH MIT BESCHRAENKTER HAFTUNG (DE) 2011-10-20 US disclosed
US-20110257173-A1 3 (3-Pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK PATENT GMBH MIT BESCHRAENKTER HAFTUNG (DE) 2011-10-20 US disclosed
WO-2010072301-A1 3-(3-PYRIMIDINE-2-YL-BENZYL)-[1,2,4] TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-01 WO 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 (1 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-20110257173-A1 3 (3-Pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives RET, ERBB2, JAK2 MET 5/4885PIM1 44/4885KDM4E 901/4885

“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.