SCHEMBL3727049

SCHEMBL3727049

CC(C)CCn1c(CN2C(=O)N(C)Cc3ccccc32)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3738360 0.91 TSHR (0.53) TSHRMAPK1TP53POLBMAPT
SCHEMBL2875133 0.87 TSHR (0.40) TSHRMAPK1
SCHEMBL7740571 0.85 TSHR (0.56) TSHRMAPK1TP53POLBMAPT
SCHEMBL16163364 0.81 TSHR (0.51) TSHRMAPK1TP53POLBMAPT
SCHEMBL3738302 0.81 BCHE (0.36)
SCHEMBL16163285 0.79 TSHR (0.49) TSHRMAPK1TP53POLBMAPT
SCHEMBL2866573 0.78 TSHR (0.39) TSHRMAPK1
SCHEMBL7745697 0.78 TSHR (0.64) TSHRMAPK1TP53POLBMAPT
SCHEMBL7740562 0.78 TSHR (0.57) TSHRMAPK1TP53POLBMAPT
SCHEMBL7746872 0.77 TSHR (0.54) TSHRMAPK1TP53POLBMAPT

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 5 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
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

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 2919/4885TP53 2748/4885
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 TSHR 3851/4885MAPK1 4737/4885TP53 626/4885

“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.