SCHEMBL3775844

SCHEMBL3775844

Cc1n[nH]c2ccnc(Nc3ccc4nc[nH]c4c3)c12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
CDK1 P06493 9/20 0.46
LRRK2 Q5S007 3/20 0.46
QPCT Q16769 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
IGF1R P08069 1/20 0.42
P2RY14 Q15391 1/20 0.41
CDK4 P11802 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
EGFR P00533 1/20 0.40
TERT O14746 1/20 0.40

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 0.84 LRRK2 (0.46) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL3769990 0.82 LRRK2 (0.42) LRRK2EGFR
SCHEMBL13060922 0.81 MAPT (0.45) LRRK2RAF1
SCHEMBL3770441 0.80 GRM4 (0.61) LRRK2EGFR
SCHEMBL3775329 0.79 LRRK2 (0.61) LRRK2RAF1EGFR
SCHEMBL3769220 0.79 LRRK2 (0.70) LRRK2EGFR
SCHEMBL3768431 0.79 PRKD1 (0.46) LRRK2
SCHEMBL3762265 0.79 GRM4 (0.54) LRRK2
SCHEMBL3778709 0.78 KDR (0.47) IGF1REGFR
SCHEMBL3768341 0.77 GRM4 (0.59) LRRK2EGFR

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 ADRA2A 1174/4885ADRA2C 627/4885ADRA1D 753/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 ADRA2A 1103/4885ADRA2C 594/4885ADRA1D 756/4885

“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.