SCHEMBL17731666

SCHEMBL17731666

COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 1.00
▸ ALK Q9UM73 10/20 0.83
▸ FES P07332 2/20 0.81
▸ FLT3 P36888 2/20 0.81
▸ IGF1R P08069 4/20 0.77
▸ PTK2 Q05397 3/20 0.77
▸ GAK O14976 2/20 0.77
▸ INSR P06213 2/20 0.77
▸ INSRR P14616 2/20 0.77
▸ MAPK1 P28482 2/20 0.77
▸ LTK P29376 2/20 0.77
▸ CLK1 P49759 2/20 0.77
▸ TNK2 Q07912 2/20 0.77
▸ TNK1 Q13470 2/20 0.77
▸ PTK2B Q14289 2/20 0.77
▸ MAP4K1 Q92918 2/20 0.65
▸ ZAP70 P43403 2/20 0.62
▸ BMPR1B O00238 1/20 0.61
▸ PLK4 O00444 1/20 0.61
▸ STK25 O00506 1/20 0.61

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
SCHEMBL29519543 0.92 TTK (0.85) TTKALKFESFLT3IGF1R
SCHEMBL17731736 0.91 TTK (1.00) TTKALKFESFLT3IGF1R
SCHEMBL3954048 0.90 FES (1.00) TTKALKFESFLT3IGF1R
SCHEMBL14866359 0.89 TTK (0.81) TTKALKFESFLT3IGF1R
SCHEMBL18018796 0.87 TTK (0.80) TTKALKFESFLT3IGF1R
SCHEMBL29446147 0.87 ALK (1.00) TTKALKFESFLT3IGF1R
SCHEMBL4051419 0.87 ALK (1.00) TTKALKFESFLT3IGF1R
SCHEMBL29446184 0.87 ALK (1.00) TTKALKFESFLT3IGF1R
SCHEMBL14866207 0.86 ALK (0.84) TTKALKFESFLT3IGF1R
SCHEMBL17731758 0.86 TTK (0.75) TTKALKFESFLT3IGF1R

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.

Send feedback