SCHEMBL12786014

SCHEMBL12786014

CCOC(=O)N1CCC(c2n[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 2/20 0.52
TSHR P16473 3/20 0.51
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PARP1 P09874 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.48
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NOS2 P35228 1/20 0.46
CHRM4 P08173 1/20 0.46

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
SCHEMBL12845955 0.84 ROCK1 (0.56) ALDH1A1GAAPOLBTSHRKDM4E
SCHEMBL12846148 0.82 ROCK1 (0.48) ALDH1A1GAATSHRKDM4ESMN1; SMN2
SCHEMBL12846153 0.81 NOS2 (0.57) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1720663 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AGAAMEN1MAPT
SCHEMBL1720065 0.80 PARP1 (0.71) ALDH1A1KMT2AGAAMEN1MAPT
SCHEMBL12846182 0.78 NOS2 (0.53) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL12846181 0.78 ALDH1A1 (0.52) ALDH1A1KMT2APOLBTSHRKDM4E
SCHEMBL12846152 0.77 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1789261 0.76 ATM (0.50) ALDH1A1GAAMAPTPOLBKDM4E
SCHEMBL19902592 0.76 ATM (0.44) ALDH1A1KMT2APOLBKDM4EPARP1

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 10 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-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-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-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 ALDH1A1 551/4885KMT2A 129/4885GAA 3119/4885
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors PARP1, PARP2, PARP11 ALDH1A1 494/4885KMT2A 131/4885GAA 3085/4885
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 ALDH1A1 551/4885KMT2A 129/4885GAA 3119/4885

“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.