SCHEMBL6514995

SCHEMBL6514995

Cc1nc2ccc3nc(C(C)OC(=O)Nc4ccc(Cl)c(Cl)c4)[nH]c3c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 5/20 0.38
AGPAT2 O15120 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LDHA P00338 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL6514987 1.00 GRM5 (0.43) GRM5HTTSMN1; SMN2LMNAMAPT
SCHEMBL6512270 0.85 GRM5 (0.46) GRM5HTTSMN1; SMN2LMNAMAPT
SCHEMBL6512272 0.85 GRM5 (0.46) GRM5HTTSMN1; SMN2LMNAMAPT
SCHEMBL6511672 0.84 GRM5 (0.46) GRM5HTTSMN1; SMN2LMNAMAPT
SCHEMBL6511677 0.84 GRM5 (0.46) GRM5HTTSMN1; SMN2LMNAMAPT
SCHEMBL6512288 0.83 GRM5 (0.44) GRM5HTTSMN1; SMN2LMNAMAPT
SCHEMBL6512297 0.83 GRM5 (0.44) GRM5HTTSMN1; SMN2LMNAMAPT
SCHEMBL6511712 0.81 GRM5 (0.42) GRM5HTTLMNAMAPTAGPAT2
SCHEMBL6515185 0.81 GRM5 (0.42) GRM5HTTLMNAMAPTAGPAT2
SCHEMBL6511706 0.81 GRM5 (0.42) GRM5HTTLMNAMAPTAGPAT2

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 4339/4885SMN1; SMN2 2438/4885

“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.