SCHEMBL4268614

SCHEMBL4268614

COC(c1ccc2c(Br)nn(C(C)C)c(=O)c2c1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.34
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
FPR2 P25090 2/20 0.32
PROKR1 Q8TCW9 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4262053 0.76 SYK (0.64) SYK
SCHEMBL4066371 0.75 SYK (0.42) SYKPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4068231 0.71 SYK (0.54) SYKPOLBKDM4ETSHRHSD17B10
SCHEMBL4268610 0.70 SYK (0.42) SYKPOLB
SCHEMBL4059538 0.70 SYK (0.43) SYKPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL4065214 0.69 TRPV1 (0.37) SYKPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL4058707 0.69 SYK (0.56) SYKPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL4065544 0.68 SYK (0.48) SYKPOLBKDM4ETSHRHSD17B10
SCHEMBL4055406 0.68 MEN1 (0.47) POLBALDH1A1CYP1A2
SCHEMBL4266041 0.67 SYK (0.41) SYKPOLBALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221599-A1 PHTHALAZINONE PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN-LA ROCHE, INC. 2009-09-03 US 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

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-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 SYK 1/4885POLB 2152/4885KDM4E 217/4885
US-20090221599-A1 PHTHALAZINONE PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A5, CYP3A43, CYP51A1 SYK 2689/4885POLB 2113/4885KDM4E 3088/4885

“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.