SCHEMBL12846151

SCHEMBL12846151

CC(C)(C)OC(=O)N1CCC(CNc2n[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
BCDIN3D Q7Z5W3 1/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TGFBR1 P36897 2/20 0.46
PRMT5 O14744 1/20 0.46
PARP1 P09874 7/20 0.46
TNKS O95271 2/20 0.46
TNKS2 Q9H2K2 2/20 0.46
BRD4 O60885 1/20 0.45
KDM1A O60341 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
SCHEMBL12846181 0.80 ALDH1A1 (0.52) KDM4EPARP1
SCHEMBL3087666 0.77 KDM4E (0.70) KDM4EPKMGPR119TGFBR1BRD4
SCHEMBL4514765 0.77 KDM4E (0.53) KDM4EPKMBCDIN3DIDO1TDO2
SCHEMBL1316679 0.75 MAPK8 (0.52) KDM4EPKMGPR119TGFBR1PRMT5
SCHEMBL13793840 0.75 KDM4E (0.58) KDM4EPKMBCDIN3DGPR119TGFBR1
SCHEMBL3035919 0.75 GRIN2B (0.68) KDM4EPKMGPR119TGFBR1PRMT5
SCHEMBL12846290 0.74 PDGFRB (0.47) BRD4
SCHEMBL24380660 0.74 KDM4E (0.54) KDM4EPKMBCDIN3DIDO1GPR119
SCHEMBL24000701 0.74 ENPP1 (0.59) KDM4EPKM
SCHEMBL22716661 0.73 KDM4E (0.61) KDM4EPKMBCDIN3DIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072972-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-12 US disclosed
US-8946221-B2 Phthalazine derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2015-02-03 US disclosed
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS MEVELLEC LAURENCE ANNE 2011-03-17 US disclosed
US-7803795-B2 Phthalazine derivatives as parp inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-28 US disclosed
US-7803795-B2 Phthalazine derivatives as parp inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-28 US disclosed
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US disclosed
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 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 (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-20150072972-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 KDM4E 468/4885PKM 776/4885BCDIN3D 2823/4885
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors PARP1, PARP2, PARP11 KDM4E 476/4885PKM 813/4885BCDIN3D 2896/4885
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 KDM4E 468/4885PKM 776/4885BCDIN3D 2823/4885

“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.