SCHEMBL4568216

SCHEMBL4568216

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3Cl)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.44
CDK9 P50750 2/20 0.43
DYRK1A Q13627 2/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER1 P34995 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 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
SCHEMBL4568184 0.92 MTNR1A (0.42) GPR17CDK9DYRK1ADYRK2DYRK1B
SCHEMBL4568210 0.90 GPR17 (0.42) GPR17DYRK1ADYRK2DYRK1BMTNR1A
SCHEMBL4568214 0.89 DYRK3 (0.43) GPR17DYRK1ADYRK2DYRK1BMTNR1A
SCHEMBL3702535 0.88 TUBB4A (0.48) GPR17MTNR1AMTNR1BMEN1CYP3A4
SCHEMBL4568218 0.86 CYP19A1 (0.51) GPR17MRGPRX4PTGER1TUBB4ATUBB
SCHEMBL3716974 0.85 MAPK13 (0.52) GPR17MRGPRX4PTGER1TUBB4ATUBB
SCHEMBL3704461 0.85 GPR17 (0.44) GPR17MTNR1AMTNR1BCYP3A4CYP2C9
SCHEMBL4568229 0.84 CYP19A1 (0.41) GPR17CDK9DYRK1ADYRK2DYRK1B
SCHEMBL4568215 0.84 PTGS2 (0.41) GPR17DYRK1AMTNR1AMTNR1BMEN1
SCHEMBL3704285 0.83 GPR17 (0.43) GPR17DYRK1ADYRK2DYRK1BMTNR1A

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R GPR17 59/4885CDK9 3382/4885DYRK1A 920/4885

“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.