SCHEMBL2178771

SCHEMBL2178771

COc1ccc(-c2c(C3CCCC3)oc3ncnc(O[C@H](C)CCCCC(=O)OC(C)(C)C)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.38
TEK Q02763 8/20 0.38
SRC P12931 1/20 0.35
GSK3B P49841 5/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TNK2 Q07912 1/20 0.33
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
UBE2N P61088 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL12409634 1.00 KDR (0.38) KDRTEKSRCGSK3BMEN1
SCHEMBL2179067 0.90 KDR (0.40) KDRTEKGSK3BMEN1KMT2A
SCHEMBL12409660 0.90 KDR (0.40) KDRTEKGSK3BMEN1KMT2A
SCHEMBL2181263 0.86 MEN1 (0.36) KDRTEKSRCGSK3BMEN1
SCHEMBL12409608 0.86 MEN1 (0.36) KDRTEKSRCGSK3BMEN1
SCHEMBL2178773 0.85 TEK (0.38) KDRTEKGSK3BMEN1KMT2A
SCHEMBL6750681 0.84 KDM4E (0.49) KDRTEKGSK3BMEN1KMT2A
SCHEMBL6750654 0.84 KDM4E (0.49) KDRTEKGSK3BMEN1KMT2A
SCHEMBL4527244 0.84 KDM4E (0.49) KDRTEKGSK3BMEN1KMT2A
SCHEMBL12409633 0.83 MEN1 (0.37) KDRTEKGSK3BMEN1KMT2A

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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
EP-2158206-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-03 EP disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP KDR 1007/4885TEK 374/4885SRC 1796/4885

“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.