SCHEMBL3775353

SCHEMBL3775353

Cc1n[nH]c2ccnc(Nc3ccccn3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK10 P53779 2/20 0.41
GFER P55789 1/20 0.41
GRM4 Q14833 4/20 0.40
KDR P35968 1/20 0.39
LRRK2 Q5S007 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK2 P24941 3/20 0.38
CCNA2 P20248 2/20 0.38
CCNA1 P78396 2/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38

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
SCHEMBL3774794 0.82 GRM4 (0.50) MEN1KMT2AGRM4LRRK2HPGD
SCHEMBL3774577 0.80 LRRK2 (0.47) KMT2AMAPK10GRM4LRRK2HPGD
SCHEMBL19548033 0.78 LRRK2 (0.38) LRRK2ADRA2A
SCHEMBL461867 0.78 LRRK2 (0.64) MAPK10GRM4KDRLRRK2RAB9A
SCHEMBL3766773 0.78 EGFR (0.52) MAPK10GRM4LRRK2ALDH1A1SMN1; SMN2
SCHEMBL3768966 0.77 LRRK2 (0.45) GRM4KDRLRRK2
SCHEMBL3766805 0.77 LMNA (0.45) MEN1KMT2AMAPK10GFERKDR
SCHEMBL3777103 0.77 LRRK2 (0.38) LRRK2CDK2CCNE1
SCHEMBL3775329 0.77 LRRK2 (0.61) GRM4KDRLRRK2NPC1RAB9A
SCHEMBL3764074 0.76 MEN1 (0.46) MEN1KMT2AMAPK10GFERLRRK2

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 1055/4885MEN1 904/4885KMT2A 3856/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 GRM5 1037/4885MEN1 912/4885KMT2A 3840/4885

“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.