SCHEMBL864312

SCHEMBL864312

CN(Cc1ccccn1)c1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LIN28A Q9H9Z2 1/20 0.49
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KCNA5 P22460 1/20 0.41
KMT2A Q03164 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
TSHR P16473 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
GBA1 P04062 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 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
SCHEMBL10361593 0.86 TDP1 (0.55) TDP1MAPTSMN1; SMN2LIN28AMAOA
SCHEMBL2886500 0.80 L3MBTL1 (0.51) TDP1MAPTSMN1; SMN2LIN28AMAOA
SCHEMBL12888692 0.78 TDP1 (0.59) TDP1MAPTSMN1; SMN2LIN28AMAOA
SCHEMBL15455734 0.75 GRM5 (0.39) SMN1; SMN2MAOAMAOBKMT2AMEN1
SCHEMBL8815911 0.75 SMN1; SMN2 (0.55) TDP1MAPTSMN1; SMN2LIN28AMAOA
SCHEMBL19513024 0.74 CYP2C19 (0.55) TDP1MAPTSMN1; SMN2LIN28AMAOA
SCHEMBL2884783 0.74 CRHBP (0.58) TDP1MAPTSMN1; SMN2LIN28AKMT2A
SCHEMBL210394 0.74 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28AMAOA
SCHEMBL804182 0.74 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28AMAOA
SCHEMBL29894985 0.74 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP claimed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO claimed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US claimed
EP-2376493-B1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD KK (JP) 2016-10-05 EP disclosed
US-8507505-B2 Dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2013-08-13 US disclosed
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
EP-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US disclosed
EP-2376493-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD K.K. (JP) 2011-10-19 EP disclosed
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. 2011-10-06 US disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 EP disclosed
WO-2010067886-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 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 (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-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE1, WEE2, CCNE1 TDP1 2611/4885MAPT 4870/4885SMN1; SMN2 4074/4885
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE2, WEE1, RPS6KA1 TDP1 2654/4885MAPT 4221/4885SMN1; SMN2 4459/4885
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE TDP1 1069/4885MAPT 2715/4885SMN1; SMN2 4361/4885

“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.