SCHEMBL12224232

SCHEMBL12224232

COc1ccc2nnc(Cc3cccc(-c4ncc(-c5cnn(CCN6CCCC6)c5)cn4)c3)n2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.39
LRRK2 Q5S007 1/20 0.35
IGF1R P08069 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LTA4H P09960 2/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2456670 0.90 MET (0.36) METLRRK2IGF1RKDM4ELTA4H
SCHEMBL12730478 0.90 MET (0.40) METIGF1R
SCHEMBL1133703 0.87 MET (0.53) MET
SCHEMBL12245549 0.85 BRAF (0.37) METIGF1RFGFR1FGFR2FGFR4
SCHEMBL13575083 0.84 MET (0.43) MET
SCHEMBL12224234 0.83 DYRK1A (0.41) METKDM4EHPGDHSD17B10FGFR1
SCHEMBL13285069 0.83 MET (0.36) METLRRK2KDM4EHPGDHSD17B10
SCHEMBL12730511 0.82 MET (0.51) MET
SCHEMBL12119485 0.80 MET (0.47) MET
SCHEMBL12224248 0.79 MET (0.47) METLTA4H

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 5/4885LRRK2 791/4885IGF1R 24/4885

“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.