SCHEMBL3740314

SCHEMBL3740314

Cc1cc2c(cc1CN)nc(CO)n2CCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
CNR2 P34972 3/20 0.38
TNF P01375 1/20 0.37
CYP1A2 P05177 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 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
SCHEMBL3731195 0.82 BCHE (0.40) TSHRMAPK1CNR2BCHEACHE
SCHEMBL13041730 0.81 TSHR (0.40) TSHRMAPK1CNR2TNFBCHE
SCHEMBL3734997 0.79 TSHR (0.40) TSHRMAPK1CNR2TNFBCHE
SCHEMBL3733588 0.79 CNR2 (0.51) TSHRMAPK1CNR2BCHEACHE
SCHEMBL7887333 0.77 MC4R (0.39) CNR2BCHEACHEHDAC1
SCHEMBL7745731 0.73 TSHR (0.50) TSHRMAPK1CNR2BCHEACHE
SCHEMBL6247270 0.73 MAPK1 (0.50) TSHRMAPK1CNR2BCHEACHE
SCHEMBL6242878 0.73 MAPK1 (0.50) TSHRMAPK1CNR2BCHEACHE
SCHEMBL7740380 0.72 MAPK1 (0.76) TSHRMAPK1TNFMEN1KMT2A
SCHEMBL13041654 0.71 TSHR (0.48) TSHRMAPK1CNR2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 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 (1 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 TSHR 548/4885MAPK1 2919/4885CNR2 2323/4885

“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.