SCHEMBL2875133

SCHEMBL2875133

CC(C)CCn1c(CN2C(=O)N(C)Cc3ccccc32)nc2cc(CN)ccc21

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL2866573 0.92 TSHR (0.39) TSHRMAPK1BCHEACHECNR2
SCHEMBL2878083 0.91 BCHE (0.42) TSHRMAPK1BCHEACHECNR2
SCHEMBL2869893 0.91 BCHE (0.38) TSHRMAPK1BCHEACHECNR2
SCHEMBL2872787 0.91 BCHE (0.38) TSHRMAPK1BCHEACHECNR2
SCHEMBL2870040 0.90 TSHR (0.39) TSHRMAPK1BCHEACHECNR2
Azd-4316 SCHEMBL2875158 0.89 BCHE (0.37) TSHRMAPK1BCHEACHE
SCHEMBL2876355 0.88 BCHE (0.40) BCHEACHECNR2CNR1
Azd-4316 SCHEMBL2872620 0.88 BCHE (0.37) BCHEACHE
Azd-4316 SCHEMBL2878293 0.88 BCHE (0.37) BCHEACHE
SCHEMBL3738302 0.88 BCHE (0.36) BCHEACHECNR2

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US claimed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 WO claimed
EP-3177299-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS Alios Biopharma, Inc. (US) 2017-06-14 EP disclosed
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
WO-2016022464-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. (US) 2016-02-11 WO 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 (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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 TSHR 548/4885MAPK1 2919/4885BCHE 3288/4885
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 TSHR 3851/4885MAPK1 4737/4885BCHE 3404/4885

“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.