SCHEMBL3549217

SCHEMBL3549217

Cc1ccc(-c2oncc2C(=O)N2CCNC(=O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HSP90AA1 P07900 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
PARP1 P09874 2/20 0.41
PKM P14618 1/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
PIK3CD O00329 1/20 0.37
RAB9A P51151 2/20 0.37
MDM2 Q00987 1/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
SYK P43405 1/20 0.37
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL3186687 0.80 ALDH1A1 (0.54) KMT2AMEN1POLBHCRTR1HCRTR2
SCHEMBL3547235 0.77 MAPT (0.61) KMT2APOLBTDP1RAB9ATSHR
SCHEMBL3552122 0.77 HCRTR1 (0.50) HSP90AA1HCRTR1HCRTR2ALDH1A1HPGD
SCHEMBL3549632 0.76 ALDH1A1 (0.50) HCRTR1HCRTR2RAB9ATSHRNPC1
SCHEMBL13501704 0.76 CYP46A1 (0.51) KMT2AMEN1POLBHCRTR1HCRTR2
SCHEMBL3545756 0.75 HCRTR1 (0.43) POLBHCRTR1HCRTR2RAB9ATSHR
SCHEMBL3544606 0.75 SLC6A7 (0.63) KMT2AMEN1HCRTR1HCRTR2PKM
SCHEMBL12093445 0.75 PKM (0.67) KMT2AMEN1HSP90AA1POLBTDP1
SCHEMBL3546990 0.74 HCRTR1 (0.53) HCRTR1HCRTR2RAB9APIK3CAMTOR
SCHEMBL3552350 0.74 ALDH1A1 (0.53) HCRTR1HCRTR2RAB9ATSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 KMT2A 2389/4885MEN1 1658/4885HSP90AA1 1231/4885

“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.