SCHEMBL1801940

SCHEMBL1801940

CC1C(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=O)N1CC(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.58
PRAP1 Q96NZ9 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
TNKS O95271 1/20 0.47
ADORA1 P30542 1/20 0.47
CDK6 Q00534 1/20 0.47
PDE3A Q14432 1/20 0.47
PARP6 Q2NL67 1/20 0.47
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
TIPARP Q7Z3E1 1/20 0.47
PARP8 Q8N3A8 1/20 0.47
PARP16 Q8N5Y8 1/20 0.47
PARP12 Q9H0J9 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP11 Q9NR21 1/20 0.47

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
SCHEMBL4088922 0.92 PARP1 (0.59) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL4104414 0.91 PARP1 (0.57) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL4096575 0.90 PARP1 (0.56) PARP1PRAP1CYP3A4CYP2C9TSHR
SCHEMBL4094897 0.90 PARP1 (0.56) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL3633762 0.88 PARP1 (0.62) PARP1PRAP1CYP3A4CYP2C9TSHR
SCHEMBL14028998 0.88 PARP1 (0.62) PARP1PRAP1CYP3A4CYP2C9TSHR
SCHEMBL4096198 0.88 PARP1 (0.54) PARP1PRAP1TNKSTNKS2
SCHEMBL3630956 0.83 PARP1 (0.61) PARP1
SCHEMBL14029001 0.83 PARP1 (0.61) PARP1
Hydrochloric Acid SCHEMBL3636680 0.82 PARP1 (0.60) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011058367-A2 DIAGNOSTIC TEST FOR PREDICTING RESPONSIVENESS TO TREATMENT WITH POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITOR ASTRAZENECA AB (SE) 2011-05-19 WO disclosed
US-7902193-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2011-03-08 US disclosed
US-7902193-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2011-03-08 US disclosed
US-7902193-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2011-03-08 US disclosed
US-20090069303-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-03-12 US disclosed
US-20090069303-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-03-12 US disclosed
US-20090069303-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-03-12 US disclosed
US-7470688-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2008-12-30 US disclosed
US-7470688-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2008-12-30 US disclosed
US-7470688-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2008-12-30 US disclosed
CN-101291928-A 4-heteroarylmethyl-substituted phthalazinone derivatives KUDOS PHARM LTD MAYBRIDGE LTD (GB) 2008-10-22 CN disclosed
EP-1948642-A1 4-HETEROARYMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Ltd (GB) 2008-07-30 EP disclosed
WO-2007045877-A1 4-HETEROARYMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2007-04-26 WO disclosed
WO-2007045877-A1 4-HETEROARYMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2007-04-26 WO disclosed
US-20070093489-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2007-04-26 US disclosed
US-20070093489-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2007-04-26 US disclosed
US-20070093489-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2007-04-26 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-20090069303-A1 PHTHALAZINONE DERIVATIVES NR2C2, NR2E3, NR3C2 PARP1 2875/4885PRAP1 2054/4885CYP3A4 1684/4885
US-20070093489-A1 PHTHALAZINONE DERIVATIVES NR2C2, NR2E3, NR3C2 PARP1 2388/4885PRAP1 2011/4885CYP3A4 1674/4885

“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.