SCHEMBL3772259

SCHEMBL3772259

O=C(Nc1ccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)cc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
LRRK2 Q5S007 2/20 0.43
ACKR3 P25106 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
GFER P55789 1/20 0.41
PARP1 P09874 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3772990 0.90 LRRK2 (0.43) LRRK2ACKR3PARP1S1PR1
SCHEMBL3761990 0.88 LRRK2 (0.43) LRRK2S1PR1
SCHEMBL3799432 0.87 HTR2B (0.44) SMN1; SMN2RAB9ANPC1LRRK2ACKR3
SCHEMBL13060943 0.87 ULK1 (0.44) LRRK2PARP1S1PR1
SCHEMBL3775223 0.87 LRRK2 (0.44) LRRK2PARP1S1PR1
SCHEMBL13006074 0.86 GRM4 (0.47) SMN1; SMN2RAB9ANPC1LRRK2ACKR3
SCHEMBL3766918 0.85 ACKR3 (0.45) LRRK2ACKR3PARP1ROCK2S1PR1
SCHEMBL13006076 0.85 FLT3 (0.41) SMN1; SMN2RAB9ANPC1LRRK2MAPT
SCHEMBL3780416 0.84 LRRK2 (0.48) LRRK2ROCK2S1PR1
SCHEMBL13006092 0.84 LRRK2 (0.45) SMN1; SMN2LRRK2MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (2 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 SMN1; SMN2 3173/4885RAB9A 679/4885NPC1 230/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 SMN1; SMN2 3183/4885RAB9A 669/4885NPC1 236/4885

“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.