SCHEMBL4096628

SCHEMBL4096628

O=C=Nc1ccnc(Cc2n[nH]c(=O)c3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
AR P10275 12/20 0.49
PARP1 P09874 1/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.45
PRMT5 O14744 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4089591 0.81 PARP1 (0.62) TSHRARPARP1LMNACYP3A4
SCHEMBL4088774 0.79 TSHR (0.68) TSHRARPARP1LMNAHTT
SCHEMBL12798218 0.79 TSHR (0.68) TSHRARPARP1LMNAHTT
SCHEMBL3353081 0.78 TSHR (0.64) TSHRARPARP1LMNAHTT
SCHEMBL3353503 0.76 TSHR (0.64) TSHRARPARP1LMNA
SCHEMBL12798214 0.75 TSHR (0.62) TSHRARPARP1LMNAHTT
SCHEMBL6606293 0.73 TSHR (0.72) TSHRARPARP1LMNAPRMT5
SCHEMBL3635493 0.71 LMNA (0.56) TSHRARPARP1LMNACYP3A4
SCHEMBL6788051 0.69 ATM (0.58) TSHRLMNANPSR1POLBPRMT5
SCHEMBL3350841 0.69 PARP1 (0.73) TSHRPARP1

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 8 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-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
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
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 TSHR 725/4885AR 96/4885PARP1 2875/4885
US-20070093489-A1 PHTHALAZINONE DERIVATIVES NR2C2, NR2E3, NR3C2 TSHR 775/4885AR 80/4885PARP1 2388/4885

“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.