SCHEMBL4045977

SCHEMBL4045977

CC(C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
APLNR P35414 1/20 0.42
EPHX1 P07099 1/20 0.41
CAPN1 P07384 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
NQO2 P16083 1/20 0.38
CA7 P43166 1/20 0.37
CTSL P07711 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
SCHEMBL1785910 0.82 TDP1 (0.49) MEN1GAAKMT2ATDP1APLNR
SCHEMBL3956281 0.82 TDP1 (0.49) MEN1GAAKMT2ATDP1APLNR
SCHEMBL17087775 0.81 GAA (0.39) MEN1GAAKMT2ATDP1APLNR
SCHEMBL6848438 0.80 MEN1 (0.54) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL26346279 0.79 MEN1 (0.50) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL8081780 0.78 GAA (0.53) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL6967172 0.77 APLNR (0.49) MEN1GAAKMT2AAPLNRCA1
SCHEMBL18100127 0.77 KMT2A (0.60) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL4229696 0.76 CYP2D6 (0.39) MEN1GAAKMT2AKDM4EPOLB
SCHEMBL2062215 0.76 TDP1 (0.53) MEN1GAAKMT2ATDP1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
EP-2018386-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
EP-2007382-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
EP-2007772-A1 THIAZOLYL-DIHYDROQUINAZOLINES Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
WO-2007115930-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007115930-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007115931-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007115931-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007115932-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007115932-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US 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 (4 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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA MEN1 1896/4885GAA 1697/4885KMT2A 4598/4885
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 MEN1 2880/4885GAA 1732/4885KMT2A 4011/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 MEN1 2880/4885GAA 1732/4885KMT2A 4011/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB MEN1 2898/4885GAA 1464/4885KMT2A 4787/4885

“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.