SCHEMBL4089591

SCHEMBL4089591

O=C=Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.62
AR P10275 1/20 0.62
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL4096628 0.81 TSHR (0.64) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL12955388 0.80 LMNA (0.72) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL3635493 0.80 LMNA (0.56) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL13265573 0.78 PARP1 (0.71) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL863462 0.78 AR (1.00) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL3387433 0.78 PARP1 (0.70) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL12798188 0.78 PARP1 (0.70) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL4573019 0.78 PARP1 (0.70) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL12955362 0.78 PARP1 (0.70) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL29655200 0.78 PARP1 (0.70) PARP1ARLMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2875/4885AR 96/4885LMNA 1994/4885
US-20070093489-A1 PHTHALAZINONE DERIVATIVES NR2C2, NR2E3, NR3C2 PARP1 2388/4885AR 80/4885LMNA 1648/4885

“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.