SCHEMBL20161622

SCHEMBL20161622

Cc1cc(NC(=O)n2cnc3c2c(=O)n(C)c(=O)n3C)n(-c2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.54
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.50
KCNJ6 P48051 1/20 0.50
KCNJ5 P48544 1/20 0.50
KCNJ3 P48549 1/20 0.50
ALDH1A1 P00352 2/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL10114040 0.83 CYP1A2 (0.66) GAATSHRALDH1A1KMT2AHTT
SCHEMBL20161760 0.76 TRPA1 (0.48) TSHRALDH1A1CYP1A2MAPK1
SCHEMBL15717788 0.73 NTRK1 (0.85) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL16595134 0.72 NTRK1 (1.00) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL684090 0.71 ADORA2B (0.54) TSHRALDH1A1L3MBTL1KMT2ACYP1A2
SCHEMBL14754417 0.71 CYP1A2 (0.60) TSHRALDH1A1KMT2AHTTCYP1A2
SCHEMBL25793172 0.71 NTRK1 (0.80) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL7020240 0.70 ADORA2B (0.62) ALDH1A1KMT2AMEN1LMNAMAPK1
SCHEMBL13975495 0.70 NTRK1 (0.78) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL515911 0.69 ADORA2B (0.61) TSHRALDH1A1L3MBTL1HTTLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 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 (1 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 NTRK1 2627/4885GAA 640/4885TSHR 3225/4885

“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.