SCHEMBL12846292

SCHEMBL12846292

O=c1[nH]nc(NC2CCCN(Cc3ccccc3)C2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.56
▸ ROCK1 Q13464 5/20 0.55
▸ KAT2B Q92831 5/20 0.53
▸ CCR2 P41597 1/20 0.52
▸ JAK2 O60674 2/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ MCHR1 Q99705 1/20 0.49
▸ EHMT2 Q96KQ7 1/20 0.47
▸ PARP14 Q460N5 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
SCHEMBL12846293 0.93 MCHR1 (0.56) ROCK2ROCK1CCR2MCHR1
SCHEMBL12846004 0.84 ACHE (0.59) ROCK2ROCK1
SCHEMBL4425040 0.79 ROCK2 (0.71) ROCK2ROCK1CCR2MCHR1
SCHEMBL32679933 0.79 KAT2B (0.54) ROCK2ROCK1KAT2BCCR2JAK2
SCHEMBL14155727 0.79 KAT2B (0.56) ROCK2ROCK1KAT2BCCR2JAK2
SCHEMBL13153524 0.78 KDM4E (0.60) ROCK2ROCK1JAK2
SCHEMBL5870954 0.77 ROCK2 (0.65) ROCK2ROCK1KAT2BCCR2
SCHEMBL27171797 0.76 KAT2B (0.55) ROCK2ROCK1KAT2BCCR2EHMT2
SCHEMBL12845958 0.76 ACHE (0.54) ROCK2ROCK1MCHR1
SCHEMBL28756754 0.76 DRD2 (0.57) ROCK2ROCK1KAT2BCCR2JAK2

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ROCK2 1136/4885ROCK1 1347/4885KAT2B 418/4885
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 ROCK2 1136/4885ROCK1 1347/4885KAT2B 418/4885

“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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