SCHEMBL3010228

SCHEMBL3010228

O=c1[nH]c2cc(Br)ccc2n1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ DAO P14920 2/20 0.46
▸ AURKA O14965 1/20 0.45
▸ GABRP O00591 3/20 0.44
▸ GABRD O14764 3/20 0.44
▸ GABRA1 P14867 3/20 0.44
▸ GABRB1 P18505 3/20 0.44
▸ GABRG2 P18507 3/20 0.44
▸ GABRB3 P28472 3/20 0.44
▸ GABRA5 P31644 3/20 0.44
▸ GABRA3 P34903 3/20 0.44
▸ GABRA2 P47869 3/20 0.44
▸ GABRB2 P47870 3/20 0.44

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
SCHEMBL3831898 0.88 AKT2 (0.51) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL15396849 0.84 MEN1 (0.68) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL702708 0.78 AURKA (0.54) LMNAL3MBTL1MEN1KMT2AHRH3
SCHEMBL8156714 0.78 GABRP (0.52) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL11356818 0.78 DAO (0.60) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL11340818 0.78 AKT2 (0.56) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL16657379 0.76 DAO (0.54) LMNAL3MBTL1MEN1KMT2AHRH3
SCHEMBL12681731 0.75 CA12 (0.69) LMNAL3MBTL1HTTSMN1; SMN2CA12
SCHEMBL5653378 0.75 PIK3CA (0.42) MAPTLMNATSHRHTTAURKA
SCHEMBL12362823 0.75 IDO1 (0.39) MAPTMEN1KMT2AGABRPGABRD

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
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
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 MAPT 453/4885LMNA 1614/4885L3MBTL1 3258/4885

“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.

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