SCHEMBL17709802

SCHEMBL17709802

Nc1nc(CC2CCC2)cs1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HSD17B10 Q99714 2/20 0.44
GABRA5 P31644 1/20 0.44
GABRB2 P47870 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.42
NOS1 P29475 2/20 0.42
MAPT P10636 1/20 0.40
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL15549396 0.95 LMNA (0.46) LMNAHSD17B10GABRA5GABRB2SMN1; SMN2
SCHEMBL20000852 0.92 GABRA5 (0.47) LMNAHSD17B10GABRA5GABRB2SMN1; SMN2
SCHEMBL17709923 0.79 HTR6 (0.34) NPC1
SCHEMBL17710056 0.75 NPC1 (0.33) RAB9ANPC1KDM4E
SCHEMBL17709818 0.75 CNR1 (0.37) RAB9ANPC1KDM4ETP53
SCHEMBL17709961 0.75 HTR6 (0.35) LMNAHSD17B10GABRA5GABRB2SMN1; SMN2
SCHEMBL28161480 0.74 CNR1 (0.38) SMN1; SMN2RAB9AALDH1A1TP53
SCHEMBL2820205 0.74 CNR1 (0.40) LMNASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL28160951 0.74 HTR6 (0.39) SMN1; SMN2RAB9AALDH1A1
SCHEMBL17709913 0.74 CNR1 (0.34) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108598-B Thiazoles as Ror gamma t modulators 詹森药业有限公司 2020-11-17 CN disclosed
EP-3212641-B1 THIAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2018-12-05 EP disclosed
US-10080744-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-09-25 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-9861618-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-01-09 US disclosed
US-9861618-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-01-09 US disclosed
EP-3212641-A1 THIAZOLES AS MODULATORS OF RORyt Janssen Pharmaceutica NV (BE) 2017-09-06 EP disclosed
WO-2016069976-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2016-05-06 WO disclosed
US-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 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 (3 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-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA LMNA 4203/4885HSD17B10 1294/4885GABRA5 1738/4885
US-10080744-B2 Thiazoles as modulators of RORγt RORB, RORA, RORC LMNA 4344/4885HSD17B10 1054/4885GABRA5 1008/4885
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA LMNA 4239/4885HSD17B10 1324/4885GABRA5 1603/4885

“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.