SCHEMBL3770286

SCHEMBL3770286

Cc1n[nH]c2ccnc(Nc3cccc(CN4CCOCC4)c3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.49
LRRK2 Q5S007 1/20 0.49
JAK2 O60674 2/20 0.47
JAK3 P52333 1/20 0.47
CSF1R P07333 2/20 0.46
TYK2 P29597 2/20 0.46
TBK1 Q9UHD2 2/20 0.46
ULK2 Q8IYT8 1/20 0.46
NUAK1 O60285 2/20 0.45
ACVR1 Q04771 2/20 0.45
BMPR1B O00238 1/20 0.45
SIK2 Q9H0K1 1/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
LMNA P02545 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
KDR P35968 2/20 0.43
CDK1 P06493 1/20 0.43
STK16 O75716 1/20 0.43

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
SCHEMBL3770171 0.88 PLK4 (0.46) PLK4LRRK2JAK2LMNAEGFR
SCHEMBL3777374 0.84 TTBK1 (0.51) PLK4LRRK2JAK2JAK3CDK1
SCHEMBL3772621 0.81 GRM4 (0.47) JAK2JAK3EGFRKDRSYK
SCHEMBL3764047 0.80 CYP11B1 (0.48) JAK2EGFRJAK1GRM4
SCHEMBL3766209 0.79 JAK2 (0.41) JAK2TBK1EGFRCDK1SRC
SCHEMBL3769241 0.78 CDK2 (0.48) PLK4JAK2JAK3CSF1RTYK2
SCHEMBL3775083 0.77 AXL (0.46) LRRK2JAK2TBK1LMNAFLT3
SCHEMBL3768341 0.77 GRM4 (0.59) LRRK2EGFRSRCGRM4SMN1; SMN2
SCHEMBL13060929 0.75 GRM4 (0.44) LRRK2EGFRGRM4
SCHEMBL3771231 0.75 GRM4 (0.56) EGFRCDK1SRCGRM4

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 6 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
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 PLK4 3751/4885LRRK2 2309/4885JAK2 1557/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 PLK4 3723/4885LRRK2 2208/4885JAK2 1492/4885

“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.