SCHEMBL1145643

SCHEMBL1145643

[CH2]SC(C)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A3 Q01959 4/20 0.41
SLC6A4 P31645 3/20 0.41
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
CYP2A6 P11509 1/20 0.38
BRD4 O60885 1/20 0.38
FFAR2 O15552 1/20 0.37
CYP19A1 P11511 3/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
SLC6A2 P23975 2/20 0.35
AOC3 Q16853 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL1145645 0.78 ADRB2 (0.52) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL1145685 0.75 KMT2A (0.42) TSHRHIF1ASLC6A3SLC6A4LMNA
SCHEMBL197810 0.73 ADRB2 (0.65) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL18681398 0.73 ADRB2 (0.46) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL1003900 0.72 ADRB2 (0.56) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL3754314 0.72 ADRB2 (0.56) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL3745333 0.72 ADRB2 (0.56) ADRB2TSHRMAPK1HIF1ATDP1
Hydrochloric Acid SCHEMBL28767407 0.71 ADRB2 (0.62) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL153358 0.71 ADRB2 (0.62) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL4445207 0.71 ADRB2 (0.62) ADRB2TSHRMAPK1HIF1ATDP1

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-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (4 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 ADRB2 3243/4885TSHR 4439/4885MAPK1 26/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ADRB2 1999/4885TSHR 348/4885MAPK1 661/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ADRB2 1930/4885TSHR 267/4885MAPK1 577/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR ADRB2 1047/4885TSHR 161/4885MAPK1 956/4885

“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.