SCHEMBL3768544

SCHEMBL3768544

Cc1n[nH]c2ccnc(NCCC(C)C)c12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.57
CYP1A2 P05177 1/20 0.41
LRRK2 Q5S007 6/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3802626 0.86 UTS2R (0.43) UTS2RLRRK2CYP3A4CYP2D6KCNH2
SCHEMBL3775019 0.84 UTS2R (0.55) UTS2RLRRK2CYP3A4CYP2D6KCNH2
SCHEMBL3780547 0.81 UTS2R (0.43) UTS2RCYP1A2LRRK2CYP3A4CYP2D6
SCHEMBL3776613 0.81 UTS2R (0.57) UTS2RCYP1A2LRRK2CYP3A4CYP2D6
SCHEMBL3768424 0.80 UTS2R (0.44) UTS2RLRRK2CYP3A4CYP2D6KCNH2
SCHEMBL3772245 0.78 KIT (0.42) UTS2RLRRK2CYP3A4CYP2D6KCNH2
SCHEMBL3768759 0.78 UTS2R (0.60) UTS2RCYP3A4CYP2D6KCNH2MEN1
SCHEMBL3768838 0.78 LRRK2 (0.59) UTS2RLRRK2
SCHEMBL3774711 0.78 LRRK2 (0.48) UTS2RLRRK2CYP3A4
SCHEMBL19566614 0.78 LRRK2 (0.48) UTS2RLRRK2CYP3A4

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 452/4885CYP1A2 613/4885LRRK2 2309/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 UTS2R 454/4885CYP1A2 608/4885LRRK2 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.