SCHEMBL3706161

SCHEMBL3706161

COc1ccc2cc(-c3cscn3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 6/20 0.48
▸ PDGFRB P09619 2/20 0.48
▸ FLT3 P36888 2/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ CCNB2 O95067 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ CDK4 P11802 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ WEE1 P30291 1/20 0.48
▸ TTK P33981 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ NEK2 P51955 1/20 0.48
▸ CCNA1 P78396 1/20 0.48

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
SCHEMBL27805650 0.76 METAP2 (0.54) ITKCHEK1AURKAKDRAURKB
SCHEMBL4568036 0.74 NPC1 (0.51) ITKPDGFRBFLT3PLK4CHEK1
SCHEMBL7945775 0.72 KDM4E (0.73) ITKPDGFRBFLT3PLK4CHEK1
SCHEMBL4568044 0.72 ITK (0.48) ITKPDGFRBFLT3PLK4CHEK1
SCHEMBL16719659 0.71 METAP1 (0.39) AURKACDK5CDK5R1AURKBCA2
SCHEMBL3699661 0.70 KDM4E (0.77) ITKPDGFRBFLT3PLK4CHEK1
SCHEMBL14508721 0.69 ITK (0.48) ITKPDGFRBFLT3PLK4CHEK1
SCHEMBL22245708 0.69 KDM4E (0.62) ITKPDGFRBFLT3PLK4CHEK1
SCHEMBL14754488 0.69 CYP1A1 (0.59) CA2NPC1RAB9AKDM4EMAPT
SCHEMBL27667480 0.69 MEN1 (0.49) CA2NPC1RAB9AKDM4EMAPT

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 7 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
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 ITK 3352/4885PDGFRB 381/4885FLT3 3203/4885

“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.

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