SCHEMBL3766347

SCHEMBL3766347

Cc1n[nH]c2ccnc(Nc3ccc(CCN(C)C)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.43
KDR P35968 8/20 0.43
LRRK2 Q5S007 2/20 0.41
RET P07949 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
EGFR P00533 3/20 0.37
GRM4 Q14833 1/20 0.36
FLT1 P17948 1/20 0.36
BPTF Q12830 1/20 0.36
ITK Q08881 1/20 0.35

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
SCHEMBL3771247 0.88 LRRK2 (0.43) KDRLRRK2EGFRGRM4BPTF
SCHEMBL16864476 0.81 LRRK2 (0.40) LRRK2HRH3EGFRGRM4
SCHEMBL3775329 0.81 LRRK2 (0.61) KDRLRRK2EGFRGRM4
SCHEMBL3766328 0.81 IGF1R (0.46) CDK1KDRLRRK2RETHRH3
SCHEMBL3763899 0.78 GRM4 (0.51) LRRK2EGFRGRM4
SCHEMBL3775370 0.78 LRRK2 (0.63) KDRLRRK2GRM4FLT1
SCHEMBL3774794 0.78 GRM4 (0.50) LRRK2EGFRGRM4
SCHEMBL13006149 0.78 LRRK2 (0.42) LRRK2EGFRGRM4
SCHEMBL3775083 0.77 AXL (0.46) LRRK2
SCHEMBL3764174 0.77 CACNA2D1 (0.46) LRRK2

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 CDK1 1775/4885KDR 797/4885LRRK2 2309/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 CDK1 1780/4885KDR 726/4885LRRK2 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.