SCHEMBL1145592

SCHEMBL1145592

[CH2]SCCc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2A6 P11509 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
HRH3 Q9Y5N1 1/20 0.47
KMT2A Q03164 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PLAU P00749 1/20 0.41
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41

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
SCHEMBL5221573 0.89 SIGMAR1 (0.54) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL6240981 0.80 CYP1A2 (0.65) CYP1A2CYP2A6SIGMAR1HRH3KMT2A
SCHEMBL29560700 0.80 CYP1A2 (0.65) CYP1A2CYP2A6SIGMAR1HRH3KMT2A
SCHEMBL1145596 0.80 CYP1A2 (0.55) CYP1A2CYP2A6SIGMAR1HRH3KMT2A
SCHEMBL19539178 0.80 CYP1A2 (0.50) CYP1A2CYP2A6SIGMAR1HRH3KMT2A
SCHEMBL5528354 0.79 CYP1A2 (0.54) CYP1A2CYP2A6SIGMAR1HRH3KMT2A
SCHEMBL8670812 0.79 PLAU (0.59) CYP1A2CYP2A6SIGMAR1HRH3KMT2A
SCHEMBL6925992 0.77 SIGMAR1 (0.54) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL5101101 0.77 CYP1A2 (0.53) CYP1A2CYP2A6SIGMAR1HRH3KMT2A
SCHEMBL128640 0.77 CYP1A2 (0.56) CYP1A2CYP2A6SIGMAR1HRH3KMT2A

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 CYP1A2 3084/4885CYP2A6 2625/4885SIGMAR1 4221/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CYP1A2 3410/4885CYP2A6 2406/4885SIGMAR1 2479/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CYP1A2 3611/4885CYP2A6 2698/4885SIGMAR1 2007/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR CYP1A2 3946/4885CYP2A6 2837/4885SIGMAR1 3112/4885

“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.