SCHEMBL3770171

SCHEMBL3770171

Cc1n[nH]c2ccnc(Nc3ccc(CN4CCOCC4)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.46
JAK2 O60674 4/20 0.45
SYK P43405 1/20 0.44
FLT3 P36888 4/20 0.44
CDK2 P24941 3/20 0.44
CCNA1 P78396 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
POLB P06746 1/20 0.43
EGFR P00533 1/20 0.42
FLT1 P17948 1/20 0.42

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
SCHEMBL3775083 0.89 AXL (0.46) JAK2SYKFLT3CDK2CCNA1
SCHEMBL3770286 0.88 PLK4 (0.49) PLK4JAK2SYKFLT3ALDH1A1
SCHEMBL3769241 0.85 CDK2 (0.48) PLK4JAK2SYKFLT3CDK2
SCHEMBL13006149 0.83 LRRK2 (0.42) EGFRLRRK2
SCHEMBL3768939 0.80 HPGD (0.55) PLK4JAK2SYKFLT3KDM4E
SCHEMBL3766184 0.80 GAA (0.47) FLT3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3775217 0.79 CYP11B1 (0.48) POLBLRRK2
SCHEMBL3766328 0.79 IGF1R (0.46) LRRK2HRH3
SCHEMBL3773018 0.77 CYP1A2 (0.42) EGFRFLT1LRRK2
SCHEMBL3775370 0.77 LRRK2 (0.63) CDK2RAB9ASMN1; SMN2FLT1LRRK2

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 PLK4 3751/4885JAK2 1557/4885SYK 2282/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 PLK4 3723/4885JAK2 1492/4885SYK 2298/4885

“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.