SCHEMBL13159787

SCHEMBL13159787

N#Cc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.52
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
TDO2 P48775 2/20 0.39
ADORA2B P29275 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDH2 P48735 1/20 0.38
GRM4 Q14833 1/20 0.38
BLM P54132 1/20 0.38
WRN Q14191 1/20 0.38
EGFR P00533 2/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL12158245 0.86 CHRNA7 (0.57) CHRNA7TDO2MEN1KMT2ARAB9A
SCHEMBL13159796 0.85 CHRNA7 (0.55) CHRNA7TDO2MEN1KMT2ARAB9A
SCHEMBL12158251 0.85 CHRNA7 (0.55) CHRNA7TDO2MEN1KMT2ARAB9A
SCHEMBL12174571 0.84 KIF11 (0.53) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL13159786 0.83 MAPT (0.55) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL13159765 0.82 CHRNA7 (0.52) CHRNA7TDO2MEN1KMT2ARAB9A
SCHEMBL12158257 0.82 CHRNA7 (0.78) CHRNA7TDO2MEN1KMT2ARAB9A
SCHEMBL18904288 0.82 CHRNA7 (0.63) CHRNA7TDO2MEN1KMT2ARAB9A
SCHEMBL206498 0.81 S1PR1 (0.41) CHRNA7ADORA2AADORA1ADORA3CCNA2
SCHEMBL13159797 0.80 CHRNA7 (0.60) CHRNA7TDO2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803823-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
US-7803823-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
US-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives LOVE CHRISTOPHER J 2007-08-30 US disclosed
US-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives LOVE CHRISTOPHER J 2007-08-30 US disclosed
US-7232838-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-19 US disclosed
US-7232838-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-19 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-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives IFNG, IL15, IL5 CHRNA7 1921/4885ADORA2A 1163/4885ADORA1 595/4885

“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.