SCHEMBL2178773

SCHEMBL2178773

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEK Q02763 9/20 0.38
KDR P35968 8/20 0.38
TNK2 Q07912 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
UBE2N P61088 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
FABP1 P07148 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
POLB P06746 1/20 0.31
RAD52 P43351 1/20 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
SCHEMBL12409660 0.87 KDR (0.40) TEKKDRTNK2KDM4EALDH1A1
SCHEMBL2179067 0.87 KDR (0.40) TEKKDRTNK2KDM4EALDH1A1
SCHEMBL2181267 0.86 MEN1 (0.36) TEKKDRKDM4EALDH1A1HPGD
SCHEMBL2178771 0.85 KDR (0.38) TEKKDRTNK2KDM4EALDH1A1
SCHEMBL12409634 0.85 KDR (0.38) TEKKDRTNK2KDM4EALDH1A1
SCHEMBL2179261 0.79 KDR (0.46) TEKKDRKDM4EALDH1A1HPGD
SCHEMBL2180189 0.73 AURKA (0.36) KDRTNK2ALDH1A1HPGDCHEK1
SCHEMBL2178586 0.72 MERTK (0.36) KDRTNK2ALDH1A1HPGDCHEK1
SCHEMBL2182310 0.72 EGFR (0.41) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL2180610 0.72 MEN1 (0.38) TEKKDRKDM4EALDH1A1HPGD

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 1 patent. 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

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 1007/4885TNK2 1952/4885

“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.