SCHEMBL125267

SCHEMBL125267

O=c1[nH]c(=O)n(Cc2c(F)cccc2F)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
DTYMK P23919 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIK5 Q16478 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 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
SCHEMBL2703670 0.88 MEN1 (0.46) MEN1KMT2ADTYMKCYP1A2CYP2C19
SCHEMBL13402918 0.82 MAPK1 (0.63) MAPK1HPGD
SCHEMBL12410816 0.80 MMP13 (0.38) MEN1KMT2AMAPK1HPGD
SCHEMBL12410770 0.79 MEN1 (0.38) MEN1KMT2AALDH1A1MAPK1HPGD
SCHEMBL13384412 0.78 MAPK1 (0.41) CYP1A2GRIA1GRIA2GRIA4GRIK5
SCHEMBL1740199 0.77 GRIA1 (0.48) CYP1A2CYP2C19GRIA1GRIA2GRIA4
SCHEMBL12501006 0.77 KMT2A (0.66) MEN1KMT2ADTYMKCYP1A2CYP2C19
SCHEMBL12499618 0.77 MEN1 (0.58) MEN1KMT2ADTYMKCYP1A2CYP2C19
SCHEMBL1717207 0.76 MEN1 (0.78) MEN1KMT2ADTYMKCYP1A2CYP2C19
SCHEMBL17243360 0.76 MAPK1 (0.40) MEN1KMT2AALDH1A1MAPK1HPGD

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2390250-B1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SK CHEMICALS CO LTD (KR) 2015-08-12 EP disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
EP-2390250-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Sk Chemicals Co., Ltd. (KR) 2011-11-30 EP disclosed
US-20110166096-A1 URACIL DERIVATIVES AND USE THEREOF RESPROTECT GMBH (DE) 2011-07-07 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-20050234082-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-20 US disclosed
US-6872728-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-03-29 US disclosed
US-20040048884-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2004-03-11 US disclosed
US-6608197-B2 Aminoalkyl-substituted pyrimidones NEUROCRINE BIOSCIENCES, INC. 2003-08-19 US disclosed
EP-1255738-A2 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO Neurocrine Biosciences, Inc. (US) 2002-11-13 EP disclosed
US-20020132820-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2002-09-19 US disclosed
WO-2001055119-A2 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2001-08-02 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 (6 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-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR MEN1 771/4885KMT2A 1673/4885DTYMK 3569/4885
US-20110166096-A1 URACIL DERIVATIVES AND USE THEREOF TYMP, UNG, DPYD MEN1 2207/4885KMT2A 3185/4885DTYMK 49/4885
US-20050234082-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR MEN1 510/4885KMT2A 1311/4885DTYMK 4468/4885
US-20020132820-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR MEN1 781/4885KMT2A 2140/4885DTYMK 4385/4885
US-20040048884-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR MEN1 781/4885KMT2A 2140/4885DTYMK 4385/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR MEN1 510/4885KMT2A 1311/4885DTYMK 4468/4885

“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.