SCHEMBL9983404

SCHEMBL9983404

c1cc2ccc(OC3CCOC3)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
ROCK1 Q13464 6/20 0.41
ROCK2 O75116 1/20 0.41
PRKACA P17612 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
Q6ZSR9 Q6ZSR9 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
MAOA P21397 1/20 0.39
LRRK2 Q5S007 4/20 0.39
AHR P35869 3/20 0.39

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
SCHEMBL17895393 0.80 ROCK1 (0.48) MEN1POLBMAPK1KMT2AROCK1
SCHEMBL19510849 0.79 MEN1 (0.58) MEN1POLBMAPK1KMT2AROCK1
SCHEMBL30350735 0.79 MEN1 (0.58) MEN1POLBMAPK1KMT2AROCK1
SCHEMBL4904458 0.76 PRKCZ (0.41) LRRK2
SCHEMBL4904462 0.76 PRKCZ (0.41) LRRK2
SCHEMBL28924090 0.74 MEN1 (0.47) MEN1POLBMAPK1KMT2AROCK1
SCHEMBL28773200 0.73 NR4A1 (0.42) HRH3LRRK2ALK
SCHEMBL21282654 0.73 MEN1 (0.54) MEN1POLBMAPK1KMT2AROCK1
SCHEMBL28834825 0.72 MAOB (0.44) HRH3MAOALRRK2
SCHEMBL29901763 0.72 MAOB (0.44) HRH3MAOALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 EP disclosed
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 EP disclosed
EP-2582668-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-04-24 EP disclosed
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 WO disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 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-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, PRKACA, CILK1 MEN1 2270/4885POLB 3255/4885MAPK1 215/4885

“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.