SCHEMBL18018796

SCHEMBL18018796

COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2nc[nH]c2n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.80
▸ FES P07332 3/20 0.75
▸ FLT3 P36888 3/20 0.75
▸ ALK Q9UM73 15/20 0.64
▸ GAK O14976 3/20 0.63
▸ INSR P06213 3/20 0.63
▸ IGF1R P08069 3/20 0.63
▸ LTK P29376 3/20 0.63
▸ PTK2 Q05397 3/20 0.63
▸ TNK2 Q07912 3/20 0.63
▸ TNK1 Q13470 3/20 0.63
▸ PTK2B Q14289 3/20 0.63
▸ ZAP70 P43403 2/20 0.63
▸ INSRR P14616 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ CLK1 P49759 2/20 0.63
▸ BMPR1B O00238 2/20 0.62
▸ PLK4 O00444 2/20 0.62
▸ ERN1 O75460 2/20 0.62
▸ STK10 O94804 2/20 0.62

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
SCHEMBL18018799 0.94 TTK (0.70) TTKFESFLT3ALKGAK
SCHEMBL18018865 0.92 TTK (0.68) TTKFESFLT3ALKGAK
SCHEMBL30381944 0.89 TTK (1.00) TTKFESFLT3ALKGAK
SCHEMBL23841115 0.89 TTK (0.64) TTKFESFLT3ALKGAK
SCHEMBL18018886 0.89 TTK (0.63) TTKFESFLT3ALKGAK
SCHEMBL17731666 0.87 TTK (1.00) TTKFESFLT3ALKGAK
SCHEMBL3954048 0.86 FES (1.00) TTKFESFLT3ALKGAK
SCHEMBL14866359 0.85 TTK (0.81) TTKFESFLT3ALKGAK
SCHEMBL14866370 0.85 ALK (0.80) TTKFESFLT3ALKGAK
SCHEMBL22985929 0.84 TTK (0.57) TTKFESFLT3ALKINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023233148-A1 CANCER THERAPY THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL, (GB) 2023-12-07 — — WO disclosed
US-11207321-B2 Methods and medical uses THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-12-28 — — US disclosed
US-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 — — US disclosed
EP-3778605-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-09 — — US disclosed
US-20200171032-A1 METHODS AND MEDICAL USES THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-06-04 — — US disclosed
US-20200138815-A1 METHODS AND MEDICAL USES INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2020-05-07 — — US disclosed
WO-2016130920-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-08-18 — — 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 (5 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-20200138815-A1 METHODS AND MEDICAL USES CDK4, CDK1, CDK5R1 TTK 358/4885FES 1765/4885FLT3 889/4885
US-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME LRRK2, PARK7, PINK1 TTK 1181/4885FES 4037/4885FLT3 4356/4885
US-11207321-B2 Methods and medical uses CDK4, CDK1, CDK5R1 TTK 358/4885FES 1765/4885FLT3 889/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 TTK 1181/4885FES 4037/4885FLT3 4356/4885
US-20200171032-A1 METHODS AND MEDICAL USES BRCA1, GPER1, SERPINB1 TTK 1379/4885FES 2879/4885FLT3 1700/4885

“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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