SCHEMBL2298461

SCHEMBL2298461

Nc1ccc2ncn(C(CC(=O)O)c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LCK P06239 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FGFR1 P11362 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MCL1 Q07820 1/20 0.37
ADA P00813 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
IKZF3 Q9UKT9 1/20 0.36

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
SCHEMBL5303602 0.90 FGFR1 (0.47) POLBSMN1; SMN2TDP1LCKMEN1
SCHEMBL2295849 0.90 FGFR1 (0.47) POLBSMN1; SMN2TDP1LCKMEN1
SCHEMBL2292529 0.85 ALDH1A1 (0.52) TDP1LCKMEN1HPGDKMT2A
SCHEMBL12205423 0.85 MEN1 (0.42) SMN1; SMN2LCKMEN1HPGDKMT2A
SCHEMBL2296047 0.84 NPC1 (0.42) POLBSMN1; SMN2TDP1MEN1KMT2A
SCHEMBL2296208 0.84 HPGD (0.55) SMN1; SMN2TDP1MEN1HPGDKMT2A
SCHEMBL2292280 0.83 POLB (0.45) POLBSMN1; SMN2TDP1LCKHSD17B10
SCHEMBL2293420 0.83 HCAR3 (0.41) POLBSMN1; SMN2TDP1LCKMEN1
SCHEMBL12421824 0.83 LCK (0.45) LCKMEN1HPGDKMT2AHSD17B10
SCHEMBL2294506 0.82 CBLB (0.42) SMN1; SMN2MEN1KMT2AITGB3ITGAV

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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 POLB 4465/4885SMN1; SMN2 2159/4885TDP1 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.