SCHEMBL3774496

SCHEMBL3774496

Cc1n[nH]c2ccnc(Nc3ccc(C(=O)N4CCCC4)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.47
HPGD P15428 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
FLT3 P36888 1/20 0.45
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GRM4 Q14833 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
BTK Q06187 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL3768939 0.91 HPGD (0.55) HPGDRXFP1FLT3MAPK10GRM4
SCHEMBL3766214 0.89 GRM4 (0.46) GRM5HPGDRXFP1FLT3GRM4
SCHEMBL3766435 0.82 ROCK1 (0.44) FLT3MAPK8MAPK10NPC1RAB9A
SCHEMBL3774972 0.80 FYN (0.46) HPGDFLT3MAPK10MEN1KMT2A
SCHEMBL382286 0.79 RAB9A (0.46) HPGDNPC1RAB9AGRM4PDGFRA
SCHEMBL3780712 0.78 MAPK8 (0.47) MAPK8MEN1KMT2ALRRK2
SCHEMBL3775329 0.77 LRRK2 (0.61) NPC1RAB9AGRM4LRRK2
SCHEMBL3766328 0.77 IGF1R (0.46) LRRK2
SCHEMBL3764198 0.76 HPGD (0.48) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL3775229 0.76 SYK (0.44) GRM4LRRK2

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 GRM5 1055/4885HPGD 3618/4885RXFP1 445/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 GRM5 1037/4885HPGD 3653/4885RXFP1 456/4885

“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.