SCHEMBL12845937

SCHEMBL12845937

N#CC1CCN(c2n[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.56
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ ATM Q13315 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ ROCK2 O75116 3/20 0.38
▸ PDE10A Q9Y233 3/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ EGLN2 Q96KS0 1/20 0.38
▸ PRMT5 O14744 1/20 0.37

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
SCHEMBL8274438 0.82 ENPP1 (0.62) ENPP1MAPK1ALDH1A1ATMKDM4E
SCHEMBL8272559 0.78 ENPP1 (0.69) ENPP1ALDH1A1ATMKDM4ETSHR
SCHEMBL12786024 0.78 ENPP1 (0.50) ENPP1MAPK1ALDH1A1ATMTSHR
Hydrochloric Acid SCHEMBL30088883 0.77 ENPP1 (0.67) ENPP1ALDH1A1ATMKDM4ETSHR
SCHEMBL29688141 0.77 ENPP1 (0.53) ENPP1ALDH1A1ATMKDM4ETSHR
SCHEMBL831675 0.77 ENPP1 (0.53) ENPP1ALDH1A1ATMKDM4ETSHR
SCHEMBL13720327 0.76 ENPP1 (0.55) ENPP1MAPK1ALDH1A1ATMKDM4E
SCHEMBL13720770 0.76 HTR3A (0.53) ENPP1MAPK1ALDH1A1ATMTSHR
SCHEMBL19951504 0.76 TSHR (0.63) ENPP1ALDH1A1ATMTSHRMEN1
SCHEMBL13721430 0.76 PARP1 (0.53) ENPP1MAPK1ALDH1A1ATMKDM4E

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 ENPP1 1708/4885MAPK1 2149/4885ALDH1A1 551/4885
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors PARP1, PARP2, PARP11 ENPP1 1728/4885MAPK1 2090/4885ALDH1A1 494/4885
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 ENPP1 1708/4885MAPK1 2149/4885ALDH1A1 551/4885

“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.

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