SCHEMBL970618

SCHEMBL970618

c1ccc(Cc2nnc(-c3nc(N4CCN(c5cnccn5)CC4)c4cccnc4c3COCc3c(-c4nnc(Cc5ccccc5)o4)nc(N4CCN(c5cnccn5)CC4)c4cccnc34)o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
SMO Q99835 7/20 0.39
SCD O00767 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL966726 0.87 MAPK1 (0.42) GAAMAPK1SMOSCDLMNA
SCHEMBL966356 0.87 LMNA (0.41) GAAMAPK1SMOSCDLMNA
SCHEMBL971586 0.73 GRIA1 (0.44) SMOALDH1A1
SCHEMBL967522 0.71 ACHE (0.42) GAAMAPK1LMNAL3MBTL1HPGD
SCHEMBL966583 0.69 ALDH1A1 (0.52) GAAMAPK1SMOLMNAL3MBTL1
SCHEMBL965866 0.68 KDM4E (0.39) MAPK1SMOLMNAL3MBTL1NPC1
SCHEMBL967547 0.68 AURKA (0.39) GAALMNANPC1RAB9ASMN1; SMN2
SCHEMBL3610543 0.68 SMO (0.76) GAAMAPK1SMOHPGDMEN1
SCHEMBL968230 0.68 GRIA1 (0.38) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL967981 0.68 PRMT5 (0.37) NPC1HPGDTSHRRAB9ASMN1; SMN2

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-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR GAA 459/4885MAPK1 2224/4885SMO 4609/4885

“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.