SCHEMBL3768424

SCHEMBL3768424

Cc1n[nH]c2ccnc(NCCNc3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPK8 P45983 2/20 0.38
METAP1 P53582 1/20 0.37
GRM4 Q14833 1/20 0.37
MAPK1 P28482 1/20 0.36
EGFR P00533 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL3768759 0.85 UTS2R (0.60) UTS2RCYP3A4CYP2D6KCNH2METAP1
SCHEMBL3775019 0.83 UTS2R (0.55) UTS2RCYP3A4CYP2D6KCNH2LRRK2
SCHEMBL3774794 0.83 GRM4 (0.50) CYP3A4CYP2D6GRM4MAPK1EGFR
SCHEMBL3764101 0.81 TAAR1 (0.41) UTS2RCYP3A4CYP2D6KCNH2LRRK2
SCHEMBL3775350 0.81 RAB9A (0.53) UTS2RCYP3A4CYP2D6KCNH2
SCHEMBL3780547 0.80 UTS2R (0.43) UTS2RCYP3A4CYP2D6KCNH2LRRK2
SCHEMBL3768544 0.80 UTS2R (0.57) UTS2RCYP3A4CYP2D6KCNH2LRRK2
SCHEMBL3776613 0.80 UTS2R (0.57) UTS2RCYP3A4CYP2D6KCNH2GRM4
SCHEMBL3766811 0.79 CYP3A4 (0.41) UTS2RCYP3A4CYP2D6KCNH2MAPK8
SCHEMBL3780660 0.79 MEN1 (0.45) UTS2RCYP3A4CYP2D6KCNH2MAPK8

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 UTS2R 452/4885CYP3A4 128/4885CYP2D6 51/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 UTS2R 454/4885CYP3A4 126/4885CYP2D6 48/4885

“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.