SCHEMBL2987183

SCHEMBL2987183

CCOC(=O)CCCOc1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 3/20 0.54
DHFR P00374 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
HSD17B10 Q99714 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
USP2 O75604 1/20 0.45
LTA4H P09960 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDK2 Q15119 1/20 0.44

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
SCHEMBL8871609 0.92 ALDH1A1 (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1DHFR
SCHEMBL13427166 0.84 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL29213722 0.84 TDP1 (0.64) CYP1A2CYP2C19ALDH1A1TDP1USP2
SCHEMBL7335908 0.84 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19ALDH1A1DHFR
SCHEMBL27921658 0.83 LMNA (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL3267158 0.83 TDP1 (0.51) ALDH1A1DHFRTDP1L3MBTL1CYP4F2
SCHEMBL3268399 0.83 JAK2 (0.53) CYP1A2CYP2C9CYP2C19DHFRTDP1
SCHEMBL9031198 0.83 MEN1 (0.43) CYP1A2DHFRTDP1L3MBTL1MEN1
SCHEMBL9034108 0.83 MEN1 (0.46) CYP1A2ALDH1A1DHFRTDP1L3MBTL1
SCHEMBL20150488 0.83 ALDH1A1 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933067-B2 Pyrido and pyrimidopyrimidine derivatives as anti-profilerative agents JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 US disclosed
US-8772272-B2 Pyrido-and pyrimidopyrimidine derivatives as anti-proliferative agents JANSSEN PHARMACEUTICA NV (BG) 2014-07-08 US disclosed
US-20130231353-A1 PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROFILERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-05 US disclosed
US-7799772-B2 tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-21 US disclosed
US-20100173913-A1 PYRIDO-AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-08 US disclosed
EP-1697384-B1 PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2008-04-02 EP disclosed
US-20070078132-A1 tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer JANSSEN-CILAG (FR) 2007-04-05 US disclosed
EP-1697384-A1 PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-06 EP disclosed
WO-2005058913-A1 PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI- PROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-30 WO disclosed
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
EP-0291247-B1 NOVEL CINNAMOYLAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1992-09-16 EP disclosed
EP-0291245-B1 BENZOYLAMINOPHENOXYBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1992-07-22 EP disclosed
US-4980372-A INHIBITORS OF 5-ALPHA-REDUCTASE; TREATING AND PREVENTING ALOPECIA, ACNES OR PROSTATIC HYPERTROPHY ONO PHARMACEUTICAL CO., LTD. (JP) 1990-12-25 US disclosed
US-4935240-A Benzoylaminophenoxybutanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-19 US disclosed
US-4863963-A 5-A-REDUCTASE INHIBITOR ONO PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0294937-A2 Novel cinnamoylamide derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-12-14 EP disclosed
EP-0294035-A2 Benzoylaminophenoxybutanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-12-07 EP disclosed
EP-0291245-A2 Benzoylaminophenoxybutanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-11-17 EP disclosed
EP-0291247-A2 Novel cinnamoylamide derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-11-17 EP 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 (3 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-20070078132-A1 tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer NR1H3, NR1H2, ERBB2 CYP1A2 510/4885CYP2C9 999/4885CYP2C19 351/4885
US-20130231353-A1 PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROFILERATIVE AGENTS NR4A1, CYP2J2, NR3C2 CYP1A2 37/4885CYP2C9 237/4885CYP2C19 45/4885
US-20100173913-A1 PYRIDO-AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROLIFERATIVE AGENTS CYP2J2, NR4A1, ALOX15 CYP1A2 62/4885CYP2C9 304/4885CYP2C19 48/4885

“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.