SCHEMBL6512288

SCHEMBL6512288

Cc1ccc2nc([C@H](C)OC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]c2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
AGPAT2 O15120 2/20 0.39
DGAT1 O75907 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
NPY1R P25929 1/20 0.37

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
SCHEMBL6512297 1.00 GRM5 (0.44) GRM5HTTLMNAKMT2AHPGD
SCHEMBL6511677 0.90 GRM5 (0.46) GRM5HTTLMNAKMT2AHPGD
SCHEMBL6511672 0.90 GRM5 (0.46) GRM5HTTLMNAKMT2AHPGD
SCHEMBL6512272 0.87 GRM5 (0.46) GRM5HTTLMNAKMT2AHPGD
SCHEMBL6512270 0.87 GRM5 (0.46) GRM5HTTLMNAKMT2AHPGD
SCHEMBL6515105 0.85 GRM5 (0.42) GRM5HTTLMNAKMT2AALDH1A1
SCHEMBL6514987 0.83 GRM5 (0.43) GRM5HTTLMNAKMT2AHPGD
SCHEMBL6514995 0.83 GRM5 (0.43) GRM5HTTLMNAKMT2AHPGD
SCHEMBL6511712 0.82 GRM5 (0.42) GRM5HTTLMNAKMT2AHPGD
SCHEMBL6515185 0.82 GRM5 (0.42) GRM5HTTLMNAKMT2AHPGD

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-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme AGOURON PHARMACEUTICALS, INC. 2005-07-07 US claimed
US-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme AGOURON PHARMACEUTICALS, INC. 2005-07-07 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-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme CHEK1, CHEK2, RAD1 GRM5 4202/4885HTT 4339/4885LMNA 2123/4885

“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.