SCHEMBL12846293

SCHEMBL12846293

O=c1[nH]nc(NC2CCN(Cc3ccccc3)C2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.56
▸ ROCK2 O75116 7/20 0.54
▸ ROCK1 Q13464 5/20 0.54
▸ MALT1 Q9UDY8 1/20 0.51
▸ ACHE P22303 4/20 0.50
▸ BCHE P06276 2/20 0.50
▸ BACE1 P56817 2/20 0.50
▸ CCR2 P41597 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NTSR1 P30989 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ JAK1 P23458 1/20 0.46
▸ CYP3A4 P08684 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
SCHEMBL12846292 0.93 ROCK2 (0.56) MCHR1ROCK2ROCK1CCR2
SCHEMBL12845958 0.82 ACHE (0.54) MCHR1ROCK2ROCK1ACHEBCHE
SCHEMBL12846004 0.79 ACHE (0.59) ROCK2ROCK1ACHEBCHEKMT2A
SCHEMBL12786027 0.79 CYP2D6 (0.45) MCHR1ROCK2ROCK1
SCHEMBL19500904 0.79 MCHR1 (0.77) MCHR1ROCK2ROCK1ACHECCR2
SCHEMBL12846289 0.78 LMNA (0.54) MCHR1ROCK2ROCK1MALT1ACHE
SCHEMBL12845957 0.77 MCHR1 (0.56) MCHR1LMNAHTTKMT2A
SCHEMBL12846294 0.76 EHMT2 (0.58) LMNAMAPTHTTKMT2AOPRK1
SCHEMBL331018 0.76 BCHE (0.68) ROCK2ROCK1MALT1ACHEBCHE
SCHEMBL331017 0.76 BCHE (0.68) ROCK2ROCK1MALT1ACHEBCHE

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 MCHR1 4363/4885ROCK2 1136/4885ROCK1 1347/4885
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors PARP1, PARP2, PARP11 MCHR1 4376/4885ROCK2 1144/4885ROCK1 1345/4885
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 MCHR1 4363/4885ROCK2 1136/4885ROCK1 1347/4885

“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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