SCHEMBL4868930

SCHEMBL4868930

Cc1ccc2c(c1)CCCCN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
HTT P42858 1/20 0.49
CASP7 P55210 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
PARP10 Q53GL7 2/20 0.43

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
SCHEMBL21707873 0.98 MAPT (0.47) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL531817 0.94 MAPT (0.54) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL12461 0.86 DRD2 (0.59) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL5467021 0.85 MAPT (0.49) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL115559 0.80 KDM4E (0.46) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL3111834 0.78 MAPT (0.50) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL30634161 0.78 MAPT (0.50) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL12018679 0.78 KDM4E (0.54) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL6247150 0.77 DRD2 (0.75) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL17927787 0.77 MAPT (0.49) MAPTGAAKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718821-B2 Pyridopyrimidinone inhibitors of kinases ABBVIE INC. (US) 2017-08-01 US disclosed
US-20170008882-A1 PYRIDINES AND PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. 2017-01-12 US disclosed
EP-2817308-B1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC (US) 2016-09-07 EP disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-9181239-B2 Pyridopyrimidinone inhibitors of kinases ABBVIE INC. (US) 2015-11-10 US disclosed
US-9051327-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2015-06-09 US disclosed
US-20140296220-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES ABBVIE INC (US) 2014-10-02 US disclosed
US-8796289-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2014-08-05 US disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
WO-2013126656-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 WO disclosed
WO-2013059485-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-04-25 WO disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 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 (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-20140296220-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 MAPT 2978/4885GAA 2666/4885KDM4E 329/4885
US-20170008882-A1 PYRIDINES AND PYRIMIDINES AND USE THEREOF CACNA1A, P2RX3, P2RX6 MAPT 2935/4885GAA 2186/4885KDM4E 1725/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B MAPT 4727/4885GAA 4166/4885KDM4E 2842/4885
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 MAPT 3398/4885GAA 1965/4885KDM4E 2044/4885

“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.