SCHEMBL4253264

SCHEMBL4253264

O=C(O)c1cnc(NCCCn2ccnc2)s1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.50
NAMPT P43490 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP19A1 P11511 1/20 0.46
TBXAS1 P24557 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL15531882 0.79 NAMPT (0.59) NAMPTSMN1; SMN2NPC1ALDH1A1CYP19A1
SCHEMBL15533702 0.75 NAMPT (0.63) NAMPTPOLB
SCHEMBL4257980 0.74 FPR3 (0.45) ALDH1A1KDM4ELMNAPOLBHTT
SCHEMBL4256180 0.73 KDM4E (0.50) SMN1; SMN2NPC1ALDH1A1KDM4ELMNA
SCHEMBL16227562 0.73 NAMPT (0.64) NAMPTSMN1; SMN2NPC1ALDH1A1CYP19A1
SCHEMBL4252915 0.72 HCAR2 (0.46) SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL4249606 0.72 HCAR2 (0.41) ALDH1A1KDM4ELMNA
SCHEMBL7807304 0.71 QPCT (0.54) QPCTNAMPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL13472388 0.71 TP53 (0.46) SMN1; SMN2NPC1ALDH1A1TBXAS1LMNA
SCHEMBL6398857 0.70 L3MBTL1 (0.68) QPCTNAMPTSMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US claimed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP claimed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 WO claimed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US disclosed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP disclosed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 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-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB QPCT 1468/4885NAMPT 2929/4885SMN1; SMN2 2618/4885

“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.