SCHEMBL4184770

SCHEMBL4184770

CC(C)(C)Nc1ncnc2ccc(-c3ccc(F)c(CN(C4CC4)S(=O)(=O)Cc4ccccc4)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.42
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
RORC P51449 1/20 0.40
CD38 P28907 1/20 0.39
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 6/20 0.39
CYP2D6 P10635 5/20 0.39
CYP2C19 P33261 5/20 0.39
MAPK1 P28482 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
RAF1 P04049 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4177517 0.88 IRAK4 (0.55) IRAK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4177638 0.88 IRAK4 (0.44) IRAK4CCNE2CDK4CCND1CCNE1
SCHEMBL4177915 0.87 CD38 (0.44) IRAK4CD38CYP1A2CYP3A4CYP2D6
SCHEMBL4181044 0.85 CD38 (0.44) IRAK4CD38CYP1A2CYP3A4CYP2D6
SCHEMBL4187250 0.84 IRAK4 (0.42) IRAK4CD38CYP1A2CYP3A4CYP2D6
SCHEMBL4177712 0.82 CD38 (0.42) IRAK4CCNE2CDK4CCND1CCNE1
SCHEMBL4174591 0.82 RORC (0.43) IRAK4RORCCD38CYP1A2CYP3A4
SCHEMBL4173323 0.82 IRAK4 (0.42) IRAK4CCNE2CDK4CCND1CCNE1
SCHEMBL4173806 0.82 CYP1A2 (0.45) IRAK4CCNE2CCNE1CDK2CD38
SCHEMBL4181841 0.81 RORC (0.43) IRAK4CCNE2CCNE1CDK2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US claimed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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 (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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 IRAK4 864/4885CCNE2 4608/4885CDK4 2856/4885

“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.