SCHEMBL3485455

SCHEMBL3485455

CC(C)(C)c1ccc(C(=O)Nc2cn3cc(I)ccc3n2)cn1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.71
CLK2 P49760 3/20 0.71
MAP3K5 Q99683 15/20 0.60
RET P07949 2/20 0.48
CDK2 P24941 2/20 0.48
GSK3B P49841 2/20 0.48
ITK Q08881 2/20 0.48
MERTK Q12866 2/20 0.48
PRKAA1 Q13131 2/20 0.48
ROCK1 Q13464 2/20 0.48
MAP3K6 O95382 2/20 0.47
MCHR1 Q99705 1/20 0.43

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
SCHEMBL3485629 0.85 MAP3K5 (0.77) CLK1CLK2MAP3K5RETCDK2
SCHEMBL3136633 0.83 MAP3K5 (0.52) CLK1CLK2MAP3K5RETCDK2
SCHEMBL3486676 0.81 CLK2 (0.75) CLK1CLK2MAP3K5GSK3B
SCHEMBL3486343 0.81 CLK1 (0.58) CLK1CLK2MAP3K5
SCHEMBL3485541 0.81 CLK2 (0.80) CLK1CLK2MAP3K5RETCDK2
SCHEMBL3486151 0.81 CLK2 (1.00) CLK1CLK2MAP3K5MCHR1
SCHEMBL3486382 0.81 MAP3K5 (0.54) CLK1CLK2MAP3K5RETCDK2
SCHEMBL3486061 0.80 MAP3K5 (0.77) CLK1CLK2MAP3K5RETCDK2
SCHEMBL3486095 0.80 CLK2 (0.73) CLK1CLK2MAP3K5RETCDK2
Hydrochloric Acid SCHEMBL3486014 0.79 CLK2 (0.72) CLK1CLK2MAP3K5RETCDK2

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-20100028259-A1 USE OF ORGANIC CATION TRANSPORTERS FOR CANCER DIAGNOSIS AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
WO-2009032172-A2 PLATINUM COMPOSITIONS AS TREATMENT FOR OCT-RELATED CANCERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-03-12 WO disclosed
WO-2007124314-A2 USE OF ORGANIC CATION TRANSPORTERS FOR CANCER DIAGNOSIS AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 CLK1 2385/4885CLK2 2521/4885MAP3K5 42/4885

“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.