SCHEMBL4568044

SCHEMBL4568044

COc1ccc2cc(-c3cncs3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 5/20 0.48
▸ FLT3 P36888 3/20 0.45
▸ PDGFRB P09619 2/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ CCNB2 O95067 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ WEE1 P30291 1/20 0.45
▸ TTK P33981 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ NEK2 P51955 1/20 0.45
▸ CCNA1 P78396 1/20 0.45

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
SCHEMBL7945775 0.76 KDM4E (0.73) ITKFLT3PDGFRBPLK4CHEK1
SCHEMBL3706161 0.72 ITK (0.48) ITKFLT3PDGFRBPLK4CHEK1
SCHEMBL1120933 0.72 CYP19A1 (0.62) ITKFLT3PDGFRBPLK4CHEK1
SCHEMBL22245708 0.72 KDM4E (0.62) ITKFLT3PDGFRBPLK4CHEK1
SCHEMBL1484046 0.71 ITK (0.56) ITKFLT3PDGFRBPLK4CHEK1
SCHEMBL6037961 0.70 APP (0.55) NPC1RAB9AMAPTCA2MEN1
SCHEMBL3699661 0.70 KDM4E (0.77) ITKFLT3PDGFRBPLK4CHEK1
SCHEMBL1423200 0.69 APP (0.57) ITKFLT3PDGFRBPLK4CHEK1
SCHEMBL12778114 0.69 CA2 (0.54) ITKFLT3PDGFRBPLK4CHEK1
SCHEMBL4568036 0.69 NPC1 (0.51) ITKFLT3PDGFRBPLK4CHEK1

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 4 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-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

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 3352/4885FLT3 3203/4885PDGFRB 381/4885

“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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