SCHEMBL4274694

SCHEMBL4274694

O=Cc1ccc2c(cnn2-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.50
CYP11B2 P19099 2/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
SMO Q99835 2/20 0.44
MGLL Q99685 1/20 0.43
PGR P06401 3/20 0.42
CYP2A6 P11509 1/20 0.41
KHK P50053 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL19763368 0.85 NR3C1 (0.48) NR3C1CYP11B2MGAMGAASI
SCHEMBL1360984 0.85 NR3C1 (0.58) NR3C1CYP11B2SMOPGR
SCHEMBL29549007 0.85 NR3C1 (0.58) NR3C1CYP11B2SMOPGR
SCHEMBL31632845 0.84 CYP11B2 (0.52) NR3C1CYP11B2SMOPGR
SCHEMBL4286821 0.79 SMO (0.53) NR3C1CYP11B2SMOMGLLPGR
SCHEMBL17942194 0.78 ALDH1A1 (0.45) NR3C1CYP11B2PGRALDH1A1
SCHEMBL22199134 0.77 NR3C1 (0.57) NR3C1CYP11B2SMOPGRKHK
SCHEMBL21295429 0.76 NR3C1 (0.54) NR3C1CYP11B2SMOMGLLPGR
SCHEMBL30918005 0.76 CYP11B2 (0.72) NR3C1CYP11B2SMOPGR
SCHEMBL839102 0.76 NR3C1 (0.54) NR3C1CYP11B2SMOMGLLPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 US disclosed
CN-113543852-A Pyrrolopyrazole derivatives 第一三共株式会社 2021-10-22 CN disclosed
CN-101193869-B Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMA 2011-03-02 CN disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
CN-101193869-A Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-04 CN disclosed
EP-1893588-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-03-05 EP disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
WO-2006135826-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 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 (2 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-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 NR3C1 4492/4885CYP11B2 1169/4885MGAM 4520/4885
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, MC2R, NR3C2 NR3C1 1/4885CYP11B2 40/4885MGAM 368/4885

“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.