SCHEMBL3700339

SCHEMBL3700339

Cc1cc(C(=O)N2CCC(CCO)CC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.47
TTK P33981 11/20 0.46
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
MAP3K7 O43318 1/20 0.40

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
SCHEMBL2947179 0.89 TTK (0.50) LRRK2TTKAXLMERTKMAP3K7
SCHEMBL3706137 0.88 LRRK2 (0.49) LRRK2TTK
SCHEMBL4766549 0.88 TTK (0.58) LRRK2TTK
SCHEMBL2946211 0.87 TTK (0.47) LRRK2TTKAXLMERTK
SCHEMBL2951457 0.83 TTK (0.48) TTKAXLMERTK
SCHEMBL2955746 0.81 ALOX15 (0.49) LRRK2TTKAXLMERTK
SCHEMBL4975672 0.79 TTK (0.49) TTKAXLMERTK
SCHEMBL10271078 0.77 TTK (0.49) TTKAXLMERTK
SCHEMBL4975608 0.77 TTK (0.46) TTKAXLMERTK
SCHEMBL3697853 0.76 TTK (0.66) TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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 (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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 LRRK2 3245/4885TTK 4589/4885AXL 2976/4885

“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.