SCHEMBL3799432

SCHEMBL3799432

O=C(Nc1ccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)cc1)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.44
ACKR3 P25106 1/20 0.43
AURKA O14965 2/20 0.42
AURKB Q96GD4 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41
S1PR1 P21453 1/20 0.40
LRRK2 Q5S007 1/20 0.40
ADCY1 Q08828 1/20 0.40
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CLK2 P49760 1/20 0.39
CSNK2A1 P68400 1/20 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
SCHEMBL13060943 0.91 ULK1 (0.44) HTR2BCTNNB1TCF7L2S1PR1LRRK2
SCHEMBL3766918 0.88 ACKR3 (0.45) ACKR3S1PR1LRRK2ROCK2
SCHEMBL3772259 0.87 SMN1; SMN2 (0.44) ACKR3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3772990 0.87 LRRK2 (0.43) ACKR3CTNNB1TCF7L2S1PR1LRRK2
SCHEMBL13006076 0.86 FLT3 (0.41) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL3775223 0.85 LRRK2 (0.44) CTNNB1TCF7L2S1PR1LRRK2
SCHEMBL3761990 0.85 LRRK2 (0.43) CTNNB1TCF7L2S1PR1LRRK2
SCHEMBL13006074 0.84 GRM4 (0.47) ACKR3AURKBNPC1RAB9ASMN1; SMN2
SCHEMBL3766325 0.84 PARP1 (0.45) ACKR3NPC1RAB9AALDH1A1LRRK2
SCHEMBL3770059 0.83 ACKR3 (0.49) ACKR3NPC1RAB9AALDH1A1

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 HTR2B 1346/4885ACKR3 125/4885AURKA 2750/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 HTR2B 1319/4885ACKR3 124/4885AURKA 2786/4885

“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.