SCHEMBL3769990

SCHEMBL3769990

Cc1nc2ccc(Nc3nccc4[nH]nc(C)c34)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.42
TNIK Q9UKE5 1/20 0.42
PRKCI P41743 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.39
EGFR P00533 1/20 0.39
GRM4 Q14833 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
KDR P35968 5/20 0.38
MET P08581 2/20 0.38
HPGD P15428 1/20 0.37
HSP90AA1 P07900 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3775905 0.83 LRRK2 (0.46) LRRK2ALDH1A1GRM4MEN1KMT2A
SCHEMBL3775844 0.82 ADRA2A (0.50) LRRK2EGFR
SCHEMBL3770441 0.81 GRM4 (0.61) LRRK2ALDH1A1POLBEGFRGRM4
SCHEMBL13060922 0.80 MAPT (0.45) LRRK2ALDH1A1GRM4MEN1KMT2A
SCHEMBL3778709 0.80 KDR (0.47) ALDH1A1EGFRKDRKDM4EMAPT
SCHEMBL3775329 0.78 LRRK2 (0.61) LRRK2EGFRGRM4RAB9AKDR
SCHEMBL3768431 0.78 PRKD1 (0.46) LRRK2GRM4RAB9ANPC1
SCHEMBL3769220 0.78 LRRK2 (0.70) LRRK2EGFRGRM4
SCHEMBL3762265 0.78 GRM4 (0.54) LRRK2GRM4MEN1KMT2AKDR
SCHEMBL3773318 0.77 MKNK1 (0.55) EGFRKDR

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 LRRK2 2309/4885TNIK 4136/4885PRKCI 4632/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885TNIK 4143/4885PRKCI 4615/4885

“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.