SCHEMBL3763899

SCHEMBL3763899

Cc1n[nH]c2ccnc(Nc3ccc(F)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.51
EGFR P00533 1/20 0.50
LRRK2 Q5S007 4/20 0.48
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.45
DHODH Q02127 2/20 0.45
CDK2 P24941 1/20 0.40
MAPK10 P53779 1/20 0.39
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 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
SCHEMBL3775329 0.88 LRRK2 (0.61) GRM4EGFRLRRK2MAPTDHODH
SCHEMBL3764136 0.87 GRM4 (0.52) GRM4EGFRLRRK2
SCHEMBL3775370 0.86 LRRK2 (0.63) GRM4LRRK2DHODHCDK2RAB9A
SCHEMBL3774794 0.85 GRM4 (0.50) GRM4EGFRLRRK2MAPTDHODH
SCHEMBL3770143 0.85 DHODH (0.53) GRM4LRRK2DHODHCDK2
SCHEMBL3774600 0.84 LRRK2 (0.44) GRM4LRRK2MAPK1
SCHEMBL3771920 0.84 GRM4 (0.56) GRM4EGFRCDK2RAB9AKMT2A
SCHEMBL3768966 0.82 LRRK2 (0.45) GRM4LRRK2
SCHEMBL3777380 0.82 DHODH (0.52) EGFRLRRK2MAPTDHODHKMT2A
SCHEMBL3775900 0.82 GRM4 (0.48) GRM4LRRK2CDK2MKNK1

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 GRM4 1109/4885EGFR 106/4885LRRK2 2309/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 GRM4 1107/4885EGFR 102/4885LRRK2 2208/4885

“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.