SCHEMBL13159797

SCHEMBL13159797

CN(C)Cc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.60
ROCK2 O75116 1/20 0.45
DHODH Q02127 2/20 0.39
IDH2 P48735 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CRHR1 P34998 1/20 0.38
TDO2 P48775 1/20 0.37
STK17A Q9UEE5 1/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 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
SCHEMBL18904288 0.89 CHRNA7 (0.63) CHRNA7DHODHIDH2CCNA2CDK2
SCHEMBL12158257 0.87 CHRNA7 (0.78) CHRNA7DHODHIDH2CCNA2CDK2
SCHEMBL13159796 0.84 CHRNA7 (0.55) CHRNA7DHODHIDH2CYP2D6CYP2C19
SCHEMBL12158245 0.84 CHRNA7 (0.57) CHRNA7DHODHIDH2CCNA2CDK2
SCHEMBL12157994 0.84 CHRNA7 (0.58) CHRNA7DHODHIDH2MAPTSMN1; SMN2
SCHEMBL4207949 0.83 CHRNA7 (0.42) CHRNA7ROCK2DHODHCYP2D6CYP2C19
SCHEMBL12158256 0.83 CHRNA7 (0.55) CHRNA7ROCK2CCNA2CDK2CCNA1
SCHEMBL12158251 0.82 CHRNA7 (0.55) CHRNA7DHODHIDH2CCNA2CDK2
SCHEMBL13159765 0.80 CHRNA7 (0.52) CHRNA7DHODHIDH2CCNA2CDK2
SCHEMBL13159787 0.80 CHRNA7 (0.52) CHRNA7DHODHIDH2CCNA2CDK2

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
EP-1418909-B1 2-AMINO-4, 5-TRISUBSTITUTED THIAzOLYL DERIVATIVES AND THEIR USE AGAINST AUTOIMMUNE DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
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 1921/4885ROCK2 2172/4885DHODH 2976/4885

“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.