SCHEMBL12229239

SCHEMBL12229239

CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.41
SSTR4 P31391 1/20 0.33
CA14 Q9ULX7 1/20 0.32
KDM5A P29375 2/20 0.31
KDM5B Q9UGL1 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
NAMPT P43490 1/20 0.31
CPB1 P15086 3/20 0.31

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
SCHEMBL2539194 0.88 CPB2 (0.38) CPB2SSTR4CA14KDM5AKDM5B
SCHEMBL24841243 0.74 SSTR4 (0.41) CPB2SSTR4CA14KDM5AKDM5B
SCHEMBL2608081 0.73 CA14 (0.49) SSTR4CA14HDAC3HDAC1HDAC2
SCHEMBL25095623 0.73 KDM4E (0.34) CPB2HDAC3HDAC1CPB1
SCHEMBL11908082 0.71 KDM5A (0.37) CPB2KDM5AKDM5BCPB1
SCHEMBL28502507 0.71 CPB2 (0.32) CPB2SSTR4
SCHEMBL10164509 0.71 HCRTR1 (0.36) CPB2SSTR4CA14HDAC3HDAC1
SCHEMBL10267170 0.70 CA12 (0.43) SSTR4CA14HDAC3HDAC1HDAC2
SCHEMBL12427151 0.70 AAK1 (0.40) CPB2
SCHEMBL34474799 0.69 TDP1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 CPB2 2580/4885SSTR4 1885/4885CA14 4709/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 CPB2 1803/4885SSTR4 831/4885CA14 4157/4885

“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.