SCHEMBL4233263

SCHEMBL4233263

O=c1c2ccccc2cnn1-c1ccc(I)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.72
NPC1 O15118 9/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
LMNA P02545 3/20 0.72
MEN1 O00255 1/20 0.72
GLA P06280 1/20 0.72
NFKB1 P19838 1/20 0.72
NFKB2 Q00653 1/20 0.72
KMT2A Q03164 1/20 0.72
RELA Q04206 1/20 0.72
ALDH1A1 P00352 6/20 0.68
POLB P06746 1/20 0.68
PLA2G10 O15496 1/20 0.67
CA9 Q16790 2/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
PAX8 Q06710 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL29703258 0.86 RAB9A (0.76) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL4238032 0.86 RAB9A (0.76) RAB9ANPC1SMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL30088977 0.85 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL28766400 0.84 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL7884958 0.84 SMN1; SMN2 (0.72) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL29703282 0.84 SMN1; SMN2 (0.72) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL7884767 0.84 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL1902033 0.84 NPC1 (0.72) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL28766425 0.84 RAB9A (0.72) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL29703248 0.84 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNAMEN1

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
CN-114560814-B Synthesis method of substituted 2, 3-naphthyridine ketone compound 天津理工大学 2023-10-20 CN disclosed
CN-114560814-A Synthesis method of substituted 2, 3-phthalazinone compound 天津理工大学 2022-05-31 CN disclosed
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 RAB9A 2055/4885NPC1 549/4885SMN1; SMN2 1606/4885
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 RAB9A 3853/4885NPC1 4812/4885SMN1; SMN2 4074/4885

“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.