SCHEMBL4059494

SCHEMBL4059494

O=c1[nH]n(-c2ccc(C(F)(F)F)cc2Cl)c(=O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
TNKS O95271 1/20 0.43
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PLEC Q15149 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL4063452 0.73 NPSR1 (0.44) GAACYP3A4HPGDCYP2C19MAPK1
SCHEMBL30880211 0.70 TSHR (0.51) TSHRGAACYP1A2CYP3A4HPGD
SCHEMBL22721887 0.70 TSHR (0.51) TSHRGAACYP1A2CYP3A4HPGD
SCHEMBL8323009 0.68 HSD17B10 (0.42) TSHRTNKSCYP1A2CYP3A4CYP2C19
SCHEMBL11418228 0.65 CYP1A2 (0.66) TSHRGAACYP1A2CYP3A4HPGD
SCHEMBL4066743 0.65 TSHR (0.73) TSHRGAAHPGDMAPK1KDM4E
SCHEMBL30863868 0.64 KMO (0.41) TSHRCYP1A2CYP3A4HPGDCYP2C19
SCHEMBL30863863 0.64 HSP90AA1 (0.38) TSHRTRPV1GAAKDM4EMEN1
SCHEMBL10771272 0.64 ACHE (0.48) GAACYP1A2HPGDCYP2C19KMT2A
SCHEMBL8599859 0.64 MARS1 (0.39) TSHRCYP1A2MEN1KMT2ADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794148-B1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7501410-B2 Methods of inhibiting BTK and SYK protein kinases ROCHE PALO ALTO LLC (US) 2009-03-10 US disclosed
EP-1998777-A1 METHODS OF INHIBITING BTK AND SYK PROTEIN KINASES F. Hoffmann-La Roche AG (CH) 2008-12-10 EP disclosed
WO-2007107469-A1 METHODS OF INHIBITING BTK AND SYK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
US-20070219195-A1 e.g. 4-(5-Methyl-2H-pyrazole-3-ylamino)-phenyl-2H-phthalazin-1-one2-Phenyl-2,3-dihydro-phthalazine-1,4-dione; tyrosine kinase inhibitor; antiinflammatory agent; asthma, rheumatoid arthritis, systemic lupus erythematosus or multiple sclerosis ROCHE PALO ALTO LLC 2007-09-20 US disclosed
EP-1794148-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-13 EP disclosed
US-7226923-B2 Phthalazinone derivatives HOFFMAN-LA ROCHE INC. (US) 2007-06-05 US disclosed
US-20060089359-A1 Phthalazinone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-04-27 US disclosed
WO-2006032518-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO 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-20060089359-A1 Phthalazinone derivatives SDHA, SDHB, CYP3A5 TSHR 4156/4885TRPV1 2531/4885TNKS 3891/4885
US-20070219195-A1 e.g. 4-(5-Methyl-2H-pyrazole-3-ylamino)-phenyl-2H-phthalazin-1-one2-Phenyl-2,3-dihydro-phthalazine-1,4-dione; tyrosine kinase inhibitor; antiinflammatory agent; asthma, rheumatoid arthritis, systemic lupus erythematosus or multiple sclerosis SYK, BTK, LCK TSHR 2375/4885TRPV1 1823/4885TNKS 700/4885

“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.