SCHEMBL5923352

SCHEMBL5923352

COc1cc(OC)nc(NC(=N)NCc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ MAPT P10636 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ VSIR Q9H7M9 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39

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
SCHEMBL5923663 0.93 HTT (0.58) HTTMAPTKMT2ATP53GLA
SCHEMBL5923052 0.83 VCP (0.46) HTTMAPTKMT2ARAB9AHDAC1
SCHEMBL5923131 0.82 MAPT (0.46) HTTMAPTKMT2ATP53GLA
SCHEMBL5923309 0.81 LMNA (0.46) HTTMAPTKMT2AHDAC1SMN1; SMN2
SCHEMBL5923425 0.78 CTNNB1 (0.43) HTTMAPTKMT2ATP53NPC1
SCHEMBL5923213 0.77 VSIR (0.50) MAPTKMT2ATP53GLACYP1A2
SCHEMBL5923374 0.76 EPHX2 (0.45) MAPTKMT2ATP53GLANPC1
SCHEMBL5923652 0.75 HTT (0.48) HTTMAPTKMT2AGLARAB9A
SCHEMBL5923240 0.75 SMN1; SMN2 (0.50) HTTMAPTKMT2ATP53GLA
SCHEMBL5923520 0.75 NPSR1 (0.42) KMT2ATP53NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — US claimed
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — 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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication PIGS, GUCY1A1, GUCY1B1 HTT 1227/4885MAPT 2982/4885KMT2A 3042/4885

“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.

Send feedback