SCHEMBL3704285

SCHEMBL3704285

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3cc(F)c(F)c(F)c3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.43
DYRK3 O43781 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CYP19A1 P11511 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL3711669 0.93 CYP19A1 (0.42) GPR17DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL3711070 0.91 CYP19A1 (0.51) GPR17CYP19A1TUBB4ATUBBTUBA3C
SCHEMBL4568421 0.91 KDM4E (0.46) GPR17CYP19A1KDM4EMAPTMAPK13
SCHEMBL3702535 0.91 TUBB4A (0.48) GPR17KDM4EMAPTTUBB4ATUBB
SCHEMBL3712236 0.91 MAPK13 (0.52) GPR17CYP19A1KDM4ETUBB4ATUBB
SCHEMBL3704461 0.90 GPR17 (0.44) GPR17KDM4ETUBB4ATUBBTUBA3C
SCHEMBL4568538 0.90 TUBB4A (0.41) GPR17DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL4568536 0.90 CYP19A1 (0.40) GPR17DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL4568229 0.89 CYP19A1 (0.41) GPR17DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL4568214 0.89 DYRK3 (0.43) GPR17DYRK3DYRK1ADYRK2DYRK1B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
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
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 59/4885DYRK3 865/4885DYRK1A 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.