SCHEMBL5437444

SCHEMBL5437444

COC(=O)c1cc(C(F)(F)F)cc2[nH]ncc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 14/20 0.52
CYP1A2 P05177 9/20 0.52
TDO2 P48775 4/20 0.45
IDO1 P14902 1/20 0.45
TSHR P16473 1/20 0.44
CFTR P13569 1/20 0.43

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
SCHEMBL5446859 0.82 METAP2 (0.55) METAP2CYP1A2TDO2IDO1
SCHEMBL4717977 0.81 TSHR (0.47) METAP2TSHR
SCHEMBL25996747 0.80 IDO1 (0.49) METAP2CYP1A2TDO2IDO1TSHR
SCHEMBL459193 0.78 TDO2 (0.53) TDO2IDO1TSHR
SCHEMBL2924367 0.78 TSHR (0.55) TDO2IDO1TSHRCFTR
SCHEMBL2592578 0.78 NR4A2 (0.48) METAP2IDO1TSHR
SCHEMBL31158048 0.78 TDO2 (0.53) TDO2IDO1TSHR
SCHEMBL16929719 0.78 TSHR (0.44) METAP2CYP1A2TSHRCFTR
SCHEMBL15230645 0.77 METAP2 (0.56) METAP2CYP1A2TDO2IDO1
SCHEMBL15230496 0.77 METAP2 (0.73) METAP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323820-B1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2023-05-10 EP disclosed
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-10-08 US disclosed
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-10-08 US disclosed
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2019-10-03 US disclosed
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2019-10-03 US disclosed
US-10273223-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-04-30 US disclosed
US-10273223-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-04-30 US disclosed
EP-3323820-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-05-23 EP disclosed
US-20180072702-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-03-15 US disclosed
US-20180072702-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-03-15 US disclosed
US-20140057891-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-02-27 US disclosed
US-20140057891-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-02-27 US disclosed
EP-2681216-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2014-01-08 EP disclosed
US-8598167-B1 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2013-12-03 US disclosed
US-20130317026-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2013-11-28 US disclosed
WO-2012118812-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2012-09-07 WO disclosed
US-20070078156-A1 Derivatives of n-(1h-indazolyl)-and n-(1h-indolyl)-urea as well as related compounds as modulators of the vanilloid-1 receptor (vr1) for treatment of pain MERCK SHARP & DOHME LTD. (GB) 2007-04-05 US disclosed
CN-1856304-A Heteroaromatic ureas that modulate the function of the capsaicin-1 receptor (VR1) MERCK SHARP & DOHME (GB) 2006-11-01 CN disclosed
EP-1675587-A2 DERIVATIVES OF N-(1H-INDAZOLYL)- AND N-(1H-INDOLYL)-UREA AS WELL AS RELATED COMPOUNDS AS MODULATORS OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN MERCK SHARP & DOHME LTD. (GB) 2006-07-05 EP disclosed
WO-2005028445-A2 DERIVATIVES OF N-(1H-INDAZOLYL)- AND N-(1H-INDOLYL)-UREA AS WELL AS RELATED COMPOUNDS AS MODULATORS OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-03-31 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 (7 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-10273223-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 METAP2 3112/4885CYP1A2 49/4885TDO2 2704/4885
US-20070078156-A1 Derivatives of n-(1h-indazolyl)-and n-(1h-indolyl)-urea as well as related compounds as modulators of the vanilloid-1 receptor (vr1) for treatment of pain CNR1, OPRL1, SIGMAR1 METAP2 4532/4885CYP1A2 2159/4885TDO2 1920/4885
US-20180072702-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 METAP2 3112/4885CYP1A2 49/4885TDO2 2704/4885
US-20140057891-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 METAP2 3112/4885CYP1A2 49/4885TDO2 2704/4885
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 METAP2 3112/4885CYP1A2 49/4885TDO2 2704/4885
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 METAP2 3112/4885CYP1A2 49/4885TDO2 2704/4885
US-20130317026-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 METAP2 3112/4885CYP1A2 49/4885TDO2 2704/4885

“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.