SCHEMBL3768698

SCHEMBL3768698

COc1ccccc1CNc1nccc2[nH]nc(C)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.53
HSD17B10 Q99714 6/20 0.49
GAA P10253 2/20 0.49
KDM1A O60341 1/20 0.49
RCOR1 Q9UKL0 1/20 0.49
TSHR P16473 5/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 5/20 0.46
CYP2D6 P10635 5/20 0.46
CYP2C19 P33261 5/20 0.46
ALOX15 P16050 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CLK4 Q9HAZ1 3/20 0.46
CYP2C9 P11712 2/20 0.46
MAPK1 P28482 2/20 0.46
EIF2AK1 Q9BQI3 1/20 0.45

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
SCHEMBL3766357 0.89 CDK9 (0.46) MAPK8HSD17B10GAASMN1; SMN2ALDH1A1
SCHEMBL3770440 0.88 MAPK8 (0.44) MAPK8HSD17B10GAAKDM1ARCOR1
SCHEMBL30340094 0.85 MAPK8 (0.55) MAPK8HSD17B10TSHRCYP1A2CYP3A4
SCHEMBL3775025 0.85 MAPK8 (0.55) MAPK8HSD17B10TSHRCYP1A2CYP3A4
SCHEMBL3776033 0.83 CYP3A4 (0.57) MAPK8HSD17B10GAATSHRTP53
SCHEMBL13060958 0.83 UTS2R (0.41) MAPK8HSD17B10CYP3A4CYP2D6CYP2C19
SCHEMBL3764074 0.79 MEN1 (0.46) MAPK8GAATP53SMN1; SMN2ALDH1A1
SCHEMBL3766805 0.78 LMNA (0.45) HSD17B10TSHRSMN1; SMN2CYP1A2CYP3A4
SCHEMBL3777297 0.76 MAP2K4 (0.50) MAPK8HSD17B10GAATP53CYP1A2
SCHEMBL3776613 0.75 UTS2R (0.57) HSD17B10TSHRSMN1; SMN2CYP1A2CYP3A4

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 MAPK8 1739/4885HSD17B10 618/4885GAA 4537/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 MAPK8 1759/4885HSD17B10 630/4885GAA 4532/4885

“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.