SCHEMBL1151081

SCHEMBL1151081

Cc1cccc(-c2ncc(Br)cn2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.56
CCR8 P51685 1/20 0.56
CYP2A6 P11509 1/20 0.44
METAP2 P50579 1/20 0.44
TGFBR1 P36897 6/20 0.39
GRM5 P41594 3/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 1/20 0.37
IDH1 O75874 1/20 0.36
MAPK14 Q16539 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
SCHEMBL26521060 0.84 CCR1 (0.60) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL26520751 0.81 CCR1 (0.56) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL12968260 0.81 CCR1 (0.56) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL3409467 0.79 CCR1 (0.65) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL10032237 0.79 CCR1 (0.59) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL26521057 0.77 CCR1 (0.50) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL12968256 0.77 TGFBR1 (0.38) TGFBR1GRM5KDM4EMAPK14
SCHEMBL26521070 0.77 CCR1 (0.50) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL14721128 0.76 CCR1 (0.60) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL16005733 0.75 CCR1 (0.48) CCR1CCR8CYP2A6TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604036-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-12-10 US disclosed
EP-2280962-B1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-03 EP disclosed
CN-102015694-A Pyridazinone derivatives MERCK PATENT GMBH 2011-04-13 CN disclosed
US-20110034474-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-10 US disclosed
US-20110034474-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-10 US disclosed
US-20110034474-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-10 US disclosed
EP-2280962-A1 PYRIDAZINONE DERIVATIVES Merck Patent GmbH (DE) 2011-02-09 EP disclosed
WO-2009129905-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2009-10-29 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-20110034474-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, BRAF CCR1 3947/4885CCR8 4673/4885CYP2A6 1352/4885

“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.