SCHEMBL17731669

SCHEMBL17731669

COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccn(C(=O)OC(C)(C)C)c2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.69
▸ ALK Q9UM73 12/20 0.65
▸ FES P07332 2/20 0.58
▸ FLT3 P36888 2/20 0.58
▸ ZAP70 P43403 3/20 0.56
▸ ULK1 O75385 2/20 0.53
▸ PTK2 Q05397 2/20 0.53
▸ BMPR1B O00238 1/20 0.53
▸ PLK4 O00444 1/20 0.53
▸ STK25 O00506 1/20 0.53
▸ RIOK3 O14730 1/20 0.53
▸ CHEK1 O14757 1/20 0.53
▸ CASK O14936 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ GAK O14976 1/20 0.53
▸ DCLK1 O15075 1/20 0.53
▸ MUSK O15146 1/20 0.53
▸ EPHB6 O15197 1/20 0.53
▸ PDPK1 O15530 1/20 0.53
▸ MAP3K13 O43283 1/20 0.53

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
SCHEMBL17731760 0.92 TTK (0.72) TTKALKFESFLT3ZAP70
SCHEMBL17731734 0.92 TTK (0.73) TTKALKFESFLT3ZAP70
SCHEMBL17731693 0.86 TTK (0.61) TTKALKFESFLT3DCLK1
SCHEMBL14866452 0.84 ALK (0.89) TTKALKFESFLT3ZAP70
SCHEMBL17731758 0.83 TTK (0.75) TTKALKFESFLT3ZAP70
SCHEMBL17731737 0.82 TTK (0.64) TTKALKZAP70PTK2INSR
SCHEMBL17731736 0.82 TTK (1.00) TTKALKFESFLT3ZAP70
SCHEMBL14866431 0.81 TTK (0.73) TTKALKFESFLT3ZAP70
SCHEMBL14866428 0.80 TTK (0.72) TTKALKFESFLT3ZAP70
SCHEMBL3959447 0.80 TTK (0.72) TTKALKFESFLT3ZAP70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611765-B2 Pyrrolopyrimidine derivatives as Mps1/TTK kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2020-04-07 — — US disclosed
US-10611765-B2 Pyrrolopyrimidine derivatives as Mps1/TTK kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2020-04-07 — — US disclosed
US-20190106422-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MPS1/TTK KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2019-04-11 — — US disclosed
US-20190106422-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MPS1/TTK KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2019-04-11 — — US disclosed
WO-2016073771-A2 PYRROLOPYRIMIDINE DERIVATIVES AS MPS1/TTK KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION (US) 2016-05-12 — — WO 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 (2 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-20190106422-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MPS1/TTK KINASE INHIBITORS TTBK1, TTK, TTBK2 TTK 2/4885ALK 1264/4885FES 95/4885
US-10611765-B2 Pyrrolopyrimidine derivatives as Mps1/TTK kinase inhibitors TTBK1, TTK, TTBK2 TTK 2/4885ALK 1264/4885FES 95/4885

“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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