SCHEMBL3017206

SCHEMBL3017206

C=CCn1ccc2ccc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.49
FGFR1 P11362 1/20 0.45
FGFR4 P22455 1/20 0.45
HTR6 P50406 1/20 0.43
PRMT5 O14744 4/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC2A1 P11166 1/20 0.38
PRMT1 Q99873 1/20 0.38
EGFR P00533 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL9092842 0.86 HTR2A (0.54) HTR7HTR2AHTR2CSLC2A1EGFR
SCHEMBL30849657 0.79 HTR2C (0.54) HTR7HTR2AHTR2CSLC2A1
SCHEMBL20819312 0.79 EGFR (0.48) HTR7HTR6HTR2AHTR2CSLC2A1
SCHEMBL12879254 0.79 HTR2C (0.55) HTR7PRMT5HTR2AHTR2CSLC2A1
SCHEMBL5621531 0.77 HTR7 (0.54) HTR7FGFR1FGFR4HTR6PRMT5
SCHEMBL31121493 0.77 HTR7 (0.54) HTR7FGFR1FGFR4HTR6PRMT5
SCHEMBL18239699 0.77 HTR7 (0.57) HTR7HTR6PRMT5HTR2AHTR2C
SCHEMBL4944128 0.77 HTR7 (0.52) HTR7HTR6PRMT5HTR2AHTR2C
SCHEMBL26683806 0.75 KMT2A (0.60) HTR7FGFR1FGFR4PRMT5EGFR
SCHEMBL29376741 0.74 CDK4 (0.67) HTR6HTR2AHTR2CALDH1A1

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-8658637-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
US-8658637-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
US-8658637-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
EP-2102170-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008070507-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-12 WO disclosed
WO-2008070507-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-12 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-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R HTR7 1045/4885FGFR1 315/4885FGFR4 909/4885

“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.