SCHEMBL799384

SCHEMBL799384

CNC(=O)c1cncc(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
RAF1 P04049 3/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 3/20 0.40
XDH P47989 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
PLK1 P53350 1/20 0.38
AGTR1 P30556 1/20 0.38

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
SCHEMBL25820302 0.84 XDH (0.56) GAAMEN1LMNAHPGDKMT2A
SCHEMBL5909485 0.82 RAF1 (0.53) HPGDRAF1MKNK1MKNK2SMN1; SMN2
SCHEMBL10141691 0.81 KDM4E (0.47) GAAMEN1LMNAHPGDKMT2A
SCHEMBL19321636 0.81 MEN1 (0.43) GAAMEN1LMNAHPGDKMT2A
SCHEMBL30281214 0.79 HCAR2 (0.57) GAAMEN1LMNAHPGDKMT2A
SCHEMBL13384499 0.79 HCAR2 (0.57) GAAMEN1LMNAHPGDKMT2A
SCHEMBL12728028 0.79 MKNK1 (0.45) GAAMEN1LMNAHPGDKMT2A
SCHEMBL10141685 0.79 PKM (0.48) GAAMEN1LMNAHPGDKMT2A
SCHEMBL13466415 0.79 KDM4E (0.48) GAAMEN1LMNAHPGDKMT2A
SCHEMBL1004004 0.79 HDAC8 (0.43) HPGDSMN1; SMN2KDM4EALDH1A1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
WO-2021213317-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 微境生物医药科技(上海)有限公司 (CN) 2021-10-28 WO disclosed
US-10941152-B2 Pyrazole compounds as modulators of FSHR and uses thereof ARES TRADING S.A. (CH) 2021-03-09 US disclosed
US-10357477-B2 Anticancer compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-07-23 US disclosed
US-20190135823-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. 2019-05-09 US disclosed
US-10208024-B2 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2H)-one compounds as inhibitors of FGFR tyrosine kinases ARRAY BIOPHARMA INC. (US) 2019-02-19 US disclosed
US-20180071258-A1 ANTICANCER COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-15 US disclosed
US-20170260168-A1 2-ARYL- AND 2-HETEROARYL-SUBSTITUTED 2-PYRIDAZIN-3(2H)-ONE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES ARRAY BIOPHARMA, INC. 2017-09-14 US disclosed
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2017-09-07 US disclosed
US-9738655-B2 Tetrahydroisoquinolines containing substituted azoles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 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 (11 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GAA 1279/4885MEN1 1802/4885LMNA 2163/4885
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 GAA 3859/4885MEN1 645/4885LMNA 2749/4885
US-20180071258-A1 ANTICANCER COMPOUNDS RB1, MCL1, TP53 GAA 1917/4885MEN1 603/4885LMNA 126/4885
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR GAA 4365/4885MEN1 2521/4885LMNA 4842/4885
US-10208024-B2 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2H)-one compounds as inhibitors of FGFR tyrosine kinases FGFR1, FGFR2, FGFR3 GAA 1694/4885MEN1 3903/4885LMNA 3680/4885
US-20190135823-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR GAA 4643/4885MEN1 2298/4885LMNA 4860/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 GAA 1917/4885MEN1 603/4885LMNA 126/4885
US-20170260168-A1 2-ARYL- AND 2-HETEROARYL-SUBSTITUTED 2-PYRIDAZIN-3(2H)-ONE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES FGFR1, FGFR2, FGFR3 GAA 1694/4885MEN1 3903/4885LMNA 3680/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GAA 1279/4885MEN1 1802/4885LMNA 2163/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 GAA 1336/4885MEN1 2694/4885LMNA 4258/4885
US-10941152-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR GAA 4643/4885MEN1 2298/4885LMNA 4860/4885

“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.