SCHEMBL3587914

SCHEMBL3587914

O=C1NCCc2[nH]c3c(ccc4cnc(-c5cccc(OCCN6CCOCC6)c5)cc43)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 16/20 1.00
MAPK9 P45984 11/20 1.00
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
AURKA O14965 1/20 0.45
KDR P35968 1/20 0.45
CDC7 O00311 1/20 0.44
ACHE P22303 1/20 0.42

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
SCHEMBL3581632 0.95 MAPKAPK2 (0.91) MAPKAPK2MAPK9ADORA2AADORA1AURKA
SCHEMBL3584974 0.93 MAPKAPK2 (1.00) MAPKAPK2MAPK9ADORA2AADORA1AURKA
SCHEMBL3575206 0.91 MAPKAPK2 (1.00) MAPKAPK2MAPK9AURKAKDRCDC7
SCHEMBL3580312 0.86 MAPKAPK2 (1.00) MAPKAPK2MAPK9CDC7
SCHEMBL3569274 0.83 MAPKAPK2 (1.00) MAPKAPK2MAPK9AURKAKDR
SCHEMBL3581009 0.76 MAPKAPK2 (0.75) MAPKAPK2MAPK9CDC7
SCHEMBL3570153 0.75 MAPKAPK2 (0.60) MAPKAPK2MAPK9CDC7
SCHEMBL3570156 0.75 MAPKAPK2 (0.60) MAPKAPK2MAPK9CDC7
SCHEMBL3577594 0.75 MAPKAPK2 (1.00) MAPKAPK2MAPK9CDC7
SCHEMBL3579073 0.73 MAPKAPK2 (0.80) MAPKAPK2MAPK9

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 2834/4885ADORA2A 1534/4885

“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.