SCHEMBL4511237

SCHEMBL4511237

Cc1cc(OCc2coc(/C=C/c3ccc(Cl)cc3)n2)ccc1COCCc1ccnn1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 8/20 0.39
MINK1 Q8N4C8 1/20 0.39
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4511239 1.00 ERBB2 (0.39) ERBB2MINK1NPC1HPGDRAB9A
SCHEMBL4515224 0.90 ERBB2 (0.42) ERBB2MINK1
SCHEMBL4515219 0.90 ERBB2 (0.42) ERBB2MINK1
SCHEMBL4508522 0.90 ERBB2 (0.51) ERBB2MINK1
SCHEMBL4508516 0.90 ERBB2 (0.51) ERBB2MINK1
SCHEMBL4513526 0.87 ERBB2 (0.37) ERBB2MINK1
SCHEMBL4513523 0.87 ERBB2 (0.37) ERBB2MINK1
SCHEMBL4510104 0.81 ERBB2 (0.41) ERBB2MINK1MAPT
SCHEMBL4510107 0.81 ERBB2 (0.41) ERBB2MINK1MAPT
SCHEMBL4514666 0.77 ERBB2 (0.40) ERBB2MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 US claimed
CN-101208335-A Pyrazole derivatives, their manufacture and their use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN claimed
EP-1915370-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-30 EP claimed
WO-2007017222-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO claimed
US-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 US disclosed
US-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 US disclosed
US-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 US disclosed
CN-101208335-A Pyrazole derivatives, their manufacture and their use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN disclosed
EP-1915370-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-30 EP disclosed
WO-2007017222-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
WO-2007017222-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 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-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents CYP3A5, CYP3A43, CYP3A7 ERBB2 3732/4885MINK1 1721/4885NPC1 1456/4885

“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.