SCHEMBL12846148

SCHEMBL12846148

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.48
ROCK2 O75116 4/20 0.48
ALDH1A1 P00352 2/20 0.45
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PARP1 P09874 2/20 0.40
PRMT5 O14744 1/20 0.39
ENPP1 P22413 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
SCHEMBL12845955 0.87 ROCK1 (0.56) ROCK1ROCK2ALDH1A1TSHRLMNA
SCHEMBL12786014 0.82 ALDH1A1 (0.59) ROCK1ROCK2ALDH1A1TSHRHPGD
SCHEMBL1789261 0.81 ATM (0.50) ROCK1ROCK2ALDH1A1LMNAGAA
SCHEMBL19902592 0.80 ATM (0.44) ROCK1ROCK2ALDH1A1LMNACYP1A2
SCHEMBL8274445 0.80 PARP1 (0.47) ROCK1ROCK2CYP2D6KDM4EPARP1
SCHEMBL1786994 0.78 PRMT5 (0.48) ROCK1ROCK2ALDH1A1LMNASMN1; SMN2
SCHEMBL1786583 0.78 ATM (0.47) ROCK1ROCK2ALDH1A1LMNASMN1; SMN2
SCHEMBL12845945 0.78 PARP1 (0.48) ROCK1ROCK2CYP2D6PARP1PRMT5
SCHEMBL19902284 0.77 PRMT5 (0.45) ROCK1ROCK2ALDH1A1TSHRLMNA
SCHEMBL19902312 0.77 PRMT5 (0.45) ROCK1ROCK2ALDH1A1TSHRLMNA

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 ROCK1 1347/4885ROCK2 1136/4885ALDH1A1 551/4885
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors PARP1, PARP2, PARP11 ROCK1 1345/4885ROCK2 1144/4885ALDH1A1 494/4885
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 ROCK1 1347/4885ROCK2 1136/4885ALDH1A1 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.