SCHEMBL989990

SCHEMBL989990

CC(C)C(C)(C)[SiH2]OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
RIPK1 Q13546 2/20 0.39
IDO1 P14902 1/20 0.38
TRPA1 O75762 1/20 0.37
AGXT P21549 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SLC6A2 P23975 3/20 0.35
TAAR1 Q96RJ0 3/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8695955 0.82 RIPK1 (0.37) TSHRRIPK1IDO1TRPA1SIGMAR1
SCHEMBL705889 0.80 TSHR (0.46) TSHRIDO1AGXTALDH1A1MAPK1
SCHEMBL4840129 0.78 IDO1 (0.53) TSHRIDO1LMNAHTTTAAR1
SCHEMBL8695541 0.76 FOLH1 (0.51) FOLH1
SCHEMBL3120407 0.75 RIPK1 (0.31) RIPK1
SCHEMBL7510682 0.73 TDP1 (0.34) ALDH1A1MAPTTDP1
SCHEMBL711282 0.72 TSHR (0.46) TSHRIDO1AGXTALDH1A1MAPK1
SCHEMBL9836474 0.72 LMNA (0.38) TSHRRIPK1TRPA1ALDH1A1MAPK1
SCHEMBL7719268 0.71 RIPK1 (0.38) TSHRRIPK1ALDH1A1MAPK1LMNA
SCHEMBL24434854 0.71 TSHR (0.44) TSHRRIPK1IDO1TRPA1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 WO 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 (2 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 TSHR 1390/4885RIPK1 184/4885IDO1 1828/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 TSHR 2811/4885RIPK1 435/4885IDO1 3815/4885

“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.