SCHEMBL12409708

SCHEMBL12409708

COc1ccc(-c2c(-c3ncccc3F)oc3ncnc(O[C@H](C)CCCCC(=O)OC(C)(C)C)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEK Q02763 13/20 0.39
KDR P35968 9/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
UBE2N P61088 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.36
CDK1 P06493 1/20 0.36
FLT1 P17948 1/20 0.36
GSK3B P49841 1/20 0.36
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
AURKA O14965 1/20 0.34
MERTK Q12866 1/20 0.33

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
SCHEMBL4531369 0.91 TEK (0.39) TEKKDRMEN1KMT2AKDM4E
SCHEMBL12409725 0.90 KDM4E (0.41) TEKKDRMEN1KMT2AKDM4E
SCHEMBL12409632 0.88 TEK (0.39) TEKKDRMEN1KMT2AKDM4E
SCHEMBL4527244 0.88 KDM4E (0.49) TEKKDRMEN1KMT2AKDM4E
SCHEMBL6750654 0.88 KDM4E (0.49) TEKKDRMEN1KMT2AKDM4E
SCHEMBL6750681 0.88 KDM4E (0.49) TEKKDRMEN1KMT2AKDM4E
SCHEMBL12409608 0.84 MEN1 (0.36) TEKKDRMEN1KMT2AKDM4E
SCHEMBL2181263 0.84 MEN1 (0.36) TEKKDRMEN1KMT2AKDM4E
SCHEMBL12409633 0.83 MEN1 (0.37) TEKKDRMEN1KMT2AKDM4E
SCHEMBL12409635 0.82 MEN1 (0.36) TEKKDRMEN1KMT2AKDM4E

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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP TEK 374/4885KDR 1007/4885MEN1 2508/4885

“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.