SCHEMBL545803

SCHEMBL545803

CC(C)(N)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NR2E1 Q9Y466 1/20 0.42
PTPN5 P54829 2/20 0.39
IDO1 P14902 2/20 0.39
TACR1 P25103 1/20 0.39
KIF11 P52732 1/20 0.38
CES2 O00748 1/20 0.38
IKBKB O14920 1/20 0.38
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1C Q13936 1/20 0.36
PDE2A O00408 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 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
SCHEMBL5705765 0.90 IDO1 (0.44) TSHRMAPK1PTPN5IDO1TACR1
Hydrochloric Acid SCHEMBL6485639 0.87 IDO1 (0.46) TSHRMAPK1PTPN5IDO1TACR1
SCHEMBL130383 0.87 TSHR (0.56) TSHRMAPK1NR2E1PTPN5IDO1
SCHEMBL12024580 0.86 TSHR (0.46) TSHRMAPK1NR2E1PTPN5IDO1
SCHEMBL7189481 0.86 TSHR (0.46) TSHRMAPK1NR2E1PTPN5IDO1
SCHEMBL23113676 0.86 TSHR (0.46) TSHRMAPK1NR2E1PTPN5IDO1
SCHEMBL14200010 0.86 MAPK1 (0.46) TSHRMAPK1NR2E1PTPN5IDO1
Iodide SCHEMBL31550893 0.85 TSHR (0.54) TSHRMAPK1NR2E1PTPN5IDO1
SCHEMBL545622 0.82 TSHR (0.43) TSHRMAPK1NR2E1PTPN5IDO1
SCHEMBL394717 0.82 TSHR (0.56) TSHRMAPK1NR2E1PTPN5IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 EP disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
EP-1957460-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-08-20 EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 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-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 TSHR 3310/4885MAPK1 89/4885NR2E1 1025/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 TSHR 4347/4885MAPK1 158/4885NR2E1 2704/4885

“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.