SCHEMBL4060562

SCHEMBL4060562

CC(C)n1nc(Br)c2ccc(CN3CCN(C)CC3)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
IDO2 Q6ZQW0 2/20 0.42
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
SYK P43405 3/20 0.42
HRH3 Q9Y5N1 2/20 0.40
PARP1 P09874 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.39
CHKA P35790 3/20 0.38
CHEK1 O14757 1/20 0.38
CNR2 P34972 1/20 0.38
MC4R P32245 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4057170 0.77 SYK (0.74) SYK
SCHEMBL4058473 0.69 AURKA (0.42) SYK
SCHEMBL4263825 0.68 LRRK2 (0.43) SYKALDH1A1
SCHEMBL4717608 0.68 SYK (0.47) SYKALDH1A1
SCHEMBL12891510 0.66 ALDH1A1 (0.69) LMNACHKAMC4RALDH1A1
SCHEMBL4065544 0.66 SYK (0.48) SYKALDH1A1
SCHEMBL29173652 0.66 CHKA (0.58) HTR6HDAC6LMNACHKAMC4R
SCHEMBL2930691 0.65 LMNA (0.50) HTR6HRH3HDAC6LMNACHKA
SCHEMBL578497 0.64 LMNA (0.67) HDAC6LMNACHKAMC4RALDH1A1
SCHEMBL22844234 0.64 CHKA (0.54) HTR6HRH3HDAC6LMNACHKA

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
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
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

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 IDO1 2810/4885TDO2 3434/4885IDO2 2573/4885
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 IDO1 391/4885TDO2 1590/4885IDO2 368/4885

“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.