SCHEMBL16968071

SCHEMBL16968071

CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4cnc(Cl)cc4c3)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.60
DYRK1A Q13627 12/20 0.53
GSK3B P49841 9/20 0.53
WNT1 P04628 5/20 0.53
CLK2 P49760 2/20 0.52
CLK3 P49761 2/20 0.52
MET P08581 2/20 0.51
TNK2 Q07912 1/20 0.51
GPR119 Q8TDV5 2/20 0.49
LIPC P11150 1/20 0.48
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL19611107 0.85 DYRK1A (0.54) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL15508164 0.83 TTK (0.61) TTKMETTNK2LIPCFGFR1
SCHEMBL30132241 0.83 TTK (0.61) TTKMETTNK2LIPCFGFR1
SCHEMBL320089 0.83 CCNC (0.51) TTKMETTNK2GPR119LIPC
SCHEMBL19611106 0.82 DYRK1A (0.52) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL18318621 0.81 CHEK2 (0.52) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL15884624 0.81 MET (0.58) TTKMETTNK2GPR119LIPC
SCHEMBL20945239 0.81 DYRK1A (0.80) TTKDYRK1AGSK3BWNT1CLK2
SCHEMBL20135336 0.80 GPR119 (0.58) TTKMETTNK2GPR119LIPC
SCHEMBL2749132 0.80 MET (0.53) TTKDYRK1AGSK3BWNT1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188642-B2 Pharmacologically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-01-29 US disclosed
US-10188642-B2 Pharmacologically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-01-29 US disclosed
US-20180117032-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-05-03 US disclosed
US-20180117032-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-05-03 US disclosed
US-20180117032-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-05-03 US disclosed
US-9895364-B2 Pharmacologically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-9895364-B2 Pharmacologically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-9895364-B2 Pharmacologically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
EP-2892890-B1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CANCER RES TECH LTD (GB) 2017-11-22 EP disclosed
US-20160296514-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2016-10-13 US disclosed
US-20160296514-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2016-10-13 US disclosed
US-20160296514-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2016-10-13 US disclosed
US-9334286-B2 Pharmacologically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-05-10 US disclosed
US-9334286-B2 Pharmacologically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-05-10 US disclosed
US-9334286-B2 Pharmacologically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-05-10 US disclosed
US-20150218181-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-06 US disclosed
US-20150218181-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-06 US disclosed
US-20150218181-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-06 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 (4 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-20150218181-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS BUB1B, BUB1, PLK1 TTK 26/4885DYRK1A 1250/4885GSK3B 271/4885
US-20180117032-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS BUB1B, BUB1, PLK1 TTK 26/4885DYRK1A 1250/4885GSK3B 271/4885
US-10188642-B2 Pharmacologically active compounds BUB1B, BUB1, PLK1 TTK 26/4885DYRK1A 1250/4885GSK3B 271/4885
US-20160296514-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS BUB1B, BUB1, PLK1 TTK 26/4885DYRK1A 1250/4885GSK3B 271/4885

“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.