SCHEMBL6513486

SCHEMBL6513486

C[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccc3ncccc3c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
MAPT P10636 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 4/20 0.41
MAPK1 P28482 1/20 0.41
GRM4 Q14833 1/20 0.40
ACLY P53396 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CLK1 P49759 1/20 0.38
POLB P06746 1/20 0.37
PDGFRA P16234 1/20 0.36
KDR P35968 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6513492 1.00 GRM5 (0.43) GRM5MAPTMEN1KMT2AHTT
SCHEMBL6511712 0.89 GRM5 (0.42) GRM5MAPTMEN1KMT2AHTT
SCHEMBL6515185 0.89 GRM5 (0.42) GRM5MAPTMEN1KMT2AHTT
SCHEMBL6511706 0.89 GRM5 (0.42) GRM5MAPTMEN1KMT2AHTT
SCHEMBL6512272 0.85 GRM5 (0.46) GRM5MAPTMEN1KMT2AHTT
SCHEMBL6512270 0.85 GRM5 (0.46) GRM5MAPTMEN1KMT2AHTT
SCHEMBL6511677 0.82 GRM5 (0.46) GRM5MAPTMEN1KMT2AHTT
SCHEMBL6511672 0.82 GRM5 (0.46) GRM5MAPTMEN1KMT2AHTT
SCHEMBL6512288 0.81 GRM5 (0.44) GRM5MAPTMEN1KMT2AHTT
SCHEMBL6512297 0.81 GRM5 (0.44) GRM5MAPTMEN1KMT2AHTT

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 4202/4885MAPT 3549/4885MEN1 1178/4885

“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.