SCHEMBL4185014

SCHEMBL4185014

Cc1cccc(CNc2ncnc3ccc(-c4cccc(CN(C(=O)c5ccccc5)C5CC5)c4)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.66
ALDH1A1 P00352 9/20 0.66
CYP3A4 P08684 9/20 0.66
KDM4E B2RXH2 9/20 0.66
HPGD P15428 9/20 0.66
LMNA P02545 8/20 0.66
MAPK1 P28482 8/20 0.66
USP2 O75604 8/20 0.66
CYP2D6 P10635 8/20 0.66
CYP2C19 P33261 7/20 0.66
HSD17B10 Q99714 7/20 0.66
CYP2C9 P11712 7/20 0.66
ALOX12 P18054 2/20 0.66
CLK4 Q9HAZ1 14/20 0.62
TSHR P16473 7/20 0.56
MAPT P10636 4/20 0.56
HIF1A Q16665 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56

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
SCHEMBL4190842 0.94 CYP1A2 (0.64) CYP1A2ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL4173317 0.92 CLK4 (0.63) CYP1A2ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL4188270 0.92 CLK4 (0.65) CYP1A2ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL4177907 0.91 CLK4 (0.62) CYP1A2ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL4173682 0.91 CYP1A2 (0.61) CYP1A2ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL4176590 0.91 LMNA (0.59) CYP1A2ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL4183776 0.90 CLK4 (0.62) CYP1A2ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL4181278 0.90 CLK4 (0.66) CYP1A2ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL4176009 0.89 CLK4 (0.60) CYP1A2ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL4184752 0.89 CLK4 (0.61) CYP1A2ALDH1A1CYP3A4KDM4EHPGD

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 CYP1A2 4353/4885ALDH1A1 2269/4885CYP3A4 4173/4885

“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.