SCHEMBL3577682

SCHEMBL3577682

COc1ccc(-c2cc3c(ccc4c5c([nH]c43)CNC5=O)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 1.00
MAPK9 P45984 13/20 0.72
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
CDC7 O00311 1/20 0.44

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
SCHEMBL3579755 0.89 MAPKAPK2 (1.00) MAPKAPK2MAPK9NPC1RAB9ACASP3
SCHEMBL3579073 0.89 MAPKAPK2 (0.80) MAPKAPK2MAPK9NPC1RAB9A
SCHEMBL3584744 0.89 MAPKAPK2 (0.83) MAPKAPK2MAPK9NPC1RAB9ACDC7
SCHEMBL3581001 0.89 MAPKAPK2 (0.80) MAPKAPK2MAPK9CDC7
SCHEMBL3581621 0.86 MAPKAPK2 (0.76) MAPKAPK2MAPK9CDC7
SCHEMBL3586244 0.84 MAPKAPK2 (1.00) MAPKAPK2MAPK9NPC1RAB9ACASP3
SCHEMBL3583943 0.83 MAPKAPK2 (0.71) MAPKAPK2MAPK9NPC1RAB9ACDC7
SCHEMBL3583940 0.83 MAPKAPK2 (0.71) MAPKAPK2MAPK9NPC1RAB9ACDC7
SCHEMBL3586366 0.82 MAPKAPK2 (0.70) MAPKAPK2MAPK9CDC7
SCHEMBL3994381 0.82 MAPKAPK2 (0.69) MAPKAPK2MAPK9CDC7

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-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US claimed
US-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US disclosed
WO-2008025512-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-03-06 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 (1 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-20100069360-A1 ORGANIC COMPOUNDS SLCO1B3, CYP3A7, SLCO1B1 MAPKAPK2 4563/4885MAPK9 2834/4885NPC1 205/4885

“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.