SCHEMBL379312

SCHEMBL379312

COc1cc(CO)nc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
DYRK1A Q13627 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.37
P2RX7 Q99572 1/20 0.37
VSIR Q9H7M9 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP1A2 P05177 1/20 0.35
PDE2A O00408 1/20 0.35
CYP3A4 P08684 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL6990127 0.87 ALDH1A1 (0.46) DYRK1AALDH1A1KDM4EP2RX7PDE4A
SCHEMBL25176208 0.80 DYRK1A (0.43) DYRK1AALDH1A1KDM4EP2RX7PDE4A
SCHEMBL27388289 0.80 L3MBTL1 (0.40) L3MBTL1ALDH1A1KDM4ECYP1A2PDE2A
SCHEMBL28312537 0.80 L3MBTL1 (0.40) L3MBTL1ALDH1A1KDM4ECYP1A2PDE2A
SCHEMBL13230306 0.80 L3MBTL1 (0.40) L3MBTL1ALDH1A1KDM4ECYP1A2PDE2A
SCHEMBL3112874 0.78 ALDH1A1 (0.41) DYRK1AALDH1A1KDM4EP2RX7PDE4A
SCHEMBL31287881 0.78 ALDH1A1 (0.41) DYRK1AALDH1A1KDM4EP2RX7PDE4A
SCHEMBL3401912 0.78 ALDH1A1 (0.56) L3MBTL1ALDH1A1KDM4ECYP1A2PDE2A
SCHEMBL27700517 0.77 NOS3 (0.54) L3MBTL1ALDH1A1KDM4ECYP1A2PDE2A
SCHEMBL27940905 0.77 L3MBTL1 (0.38) L3MBTL1ALDH1A1KDM4ECYP1A2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778966-B2 Quinolinone derivatives as PARP and tank inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-07-15 US disclosed
CN-103415510-A Method for producing aminophenyl pyrimidinyl alcohol derivative, and synthesis intermediate thereof IHARA CHEMICAL IND CO 2013-11-27 CN disclosed
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS VIALARD JORGE EDUARDO (BE) 2013-01-17 US disclosed
US-8299256-B2 Quinolinone derivatives as PARP and TANK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-10-30 US disclosed
EP-2134691-B1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-25 EP disclosed
US-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-01 US disclosed
EP-2134691-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-12-23 EP disclosed
WO-2008107478-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-12 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 (2 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-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 L3MBTL1 1082/4885DYRK1A 1675/4885ALDH1A1 2041/4885
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 L3MBTL1 1082/4885DYRK1A 1675/4885ALDH1A1 2041/4885

“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.