SCHEMBL8274438

SCHEMBL8274438

NC1CCN(c2n[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.62
▸ ATM Q13315 2/20 0.45
▸ TSHR P16473 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PRMT5 O14744 1/20 0.43
▸ AKT2 P31751 2/20 0.43
▸ KIT P10721 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ ROCK2 O75116 4/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL8272559 0.85 ENPP1 (0.69) ENPP1ATMTSHRMEN1PKM
Hydrochloric Acid SCHEMBL30088883 0.83 ENPP1 (0.67) ENPP1ATMTSHRMEN1PKM
SCHEMBL12845937 0.82 ENPP1 (0.56) ENPP1ATMTSHRMEN1PKM
Hydrochloric Acid SCHEMBL31384273 0.80 ENPP1 (0.73) ENPP1ATMTSHRMEN1PKM
SCHEMBL29688141 0.80 ENPP1 (0.53) ENPP1ATMTSHRPRMT5NPSR1
SCHEMBL831675 0.80 ENPP1 (0.53) ENPP1ATMTSHRPRMT5NPSR1
SCHEMBL19951504 0.79 TSHR (0.63) ENPP1ATMTSHRMEN1PKM
SCHEMBL13720770 0.79 HTR3A (0.53) ENPP1ATMTSHRMEN1KMT2A
SCHEMBL13720327 0.79 ENPP1 (0.55) ENPP1ATMTSHRMEN1KMT2A
SCHEMBL13721430 0.79 PARP1 (0.53) ENPP1ATMTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771175-B1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-23 — — EP 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-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
WO-2006003147-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-12 — — 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-20150072972-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 ENPP1 1708/4885ATM 456/4885TSHR 4182/4885
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors PARP1, PARP2, PARP11 ENPP1 1728/4885ATM 443/4885TSHR 4165/4885
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 ENPP1 1708/4885ATM 456/4885TSHR 4182/4885

“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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