SCHEMBL5741883

SCHEMBL5741883

Cc1cncc(-c2ccc3c(=O)c4c(sc3c2)CC(C)(C)CC4)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.38
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
CYP2A6 P11509 2/20 0.35
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 3/20 0.34
LIMK1 P53667 1/20 0.32
PRKCI P41743 1/20 0.31
BACE1 P56817 2/20 0.30
CYP1A2 P05177 1/20 0.30
APP P05067 1/20 0.30
TDO2 P48775 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL5741287 0.88 LIMK1 (0.36) LIMK1PRKCIBACE1BACE2
SCHEMBL5740852 0.86 CYP11B2 (0.40) PIK3CGCYP11B2CYP11B1LIMK1PRKCI
SCHEMBL6502371 0.85 PRMT5 (0.38) PRMT5WDR77CYP2A6LIMK1PRKCI
SCHEMBL5738937 0.85 LIMK1 (0.40) PIK3CGCYP11B2CYP11B1LIMK1BACE1
SCHEMBL5739106 0.83 CYP11B2 (0.43) PIK3CGPRMT5WDR77CYP2A6CYP11B2
SCHEMBL5738867 0.82 ABL1 (0.40) PRMT5WDR77CYP11B2CYP11B1
SCHEMBL5741185 0.80 PIK3CG (0.42) PIK3CGCYP2A6LIMK1
SCHEMBL5740728 0.78 ABL1 (0.41) CYP2A6CYP11B2LIMK1PRKCICYP1A2
SCHEMBL5738998 0.77 LIMK1 (0.34) LIMK1
SCHEMBL5740480 0.76 KIF11 (0.37)

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
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 US disclosed
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA PIK3CG 4431/4885PRMT5 3297/4885WDR77 2046/4885

“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.