SCHEMBL855588

SCHEMBL855588

Cc1csc2ncn[c]c12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31

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
SCHEMBL2368757 0.74 LMNA (0.47) LMNAPOLBPKM
SCHEMBL17334725 0.72 HTT (0.30) PIP4K2C
SCHEMBL5791703 0.71 CCR1 (0.42) LMNAGAA
SCHEMBL2369061 0.69 FGFR1 (0.50) LMNA
SCHEMBL6364094 0.68 LIMK1 (0.43) MRGPRX1LMNA
SCHEMBL5926294 0.68 MAPK1 (0.41) PKM
SCHEMBL5788742 0.68 MAPT (0.56) LMNAPOLBPIP4K2C
SCHEMBL2369510 0.67 SMN1; SMN2 (0.52) LMNAPIP4K2C
SCHEMBL2369951 0.65 SMN1; SMN2 (0.39) LMNAPOLBGAAPKM
SCHEMBL5790076 0.64 SMN1; SMN2 (0.37) LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155194-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2015-01-21 EP disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
CN-103459384-A Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS INC 2013-12-18 CN disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-08-03 US disclosed
US-20060063818-A1 Hydantoin derivatives and deren verwendung als tace inhibitoren ASTRAZENECA AB (SE) 2006-03-23 US disclosed
US-20060019994-A1 I-sulphonlyl piperidine derivatives ASTRAZENECA AB (SE) 2006-01-26 US disclosed
US-20050256176-A1 Sulphonamide derivatives and their use as tace inhibitors ASTAZENECA AB (SE) 2005-11-17 US disclosed
EP-1539740-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS AstraZeneca AB (SE) 2005-06-15 EP disclosed
EP-1539159-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004024715-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA IRAK4 1189/4885MRGPRX1 1253/4885LMNA 2593/4885
US-20050256176-A1 Sulphonamide derivatives and their use as tace inhibitors ADAM10, ADAM17, TNF IRAK4 796/4885MRGPRX1 2007/4885LMNA 2017/4885
US-20060019994-A1 I-sulphonlyl piperidine derivatives MMP1, TPSAB1, CASP1 IRAK4 251/4885MRGPRX1 1234/4885LMNA 4174/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA IRAK4 1204/4885MRGPRX1 1176/4885LMNA 2817/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA IRAK4 962/4885MRGPRX1 1211/4885LMNA 2157/4885
US-20060063818-A1 Hydantoin derivatives and deren verwendung als tace inhibitoren HPN, ADAM17, ADAM33 IRAK4 1220/4885MRGPRX1 3581/4885LMNA 939/4885
US-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors MMP9, MMP2, MMP25 IRAK4 2860/4885MRGPRX1 902/4885LMNA 2462/4885

“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.