SCHEMBL1983281

SCHEMBL1983281

CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)(c2ccc(Br)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
STS P08842 2/20 0.48
RORC P51449 3/20 0.48
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
DRD2 P14416 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL1978413 0.89 RORC (0.48) RORCOPRD1OPRK1JAK2JAK1
SCHEMBL13113934 0.88 MEN1 (0.52) MEN1KMT2ASTSOPRD1OPRK1
SCHEMBL1978679 0.86 MEN1 (0.57) MEN1KMT2ASTSOPRD1OPRK1
SCHEMBL1980344 0.86 OPRD1 (0.52) MEN1KMT2ASTSOPRD1OPRK1
SCHEMBL6073276 0.85 MEN1 (0.50) MEN1KMT2ASTSOPRD1OPRK1
SCHEMBL14391711 0.85 MEN1 (0.50) MEN1KMT2ASTSOPRD1OPRK1
SCHEMBL3470333 0.84 DRD2 (0.51) MEN1KMT2ASTSRORCDRD2
SCHEMBL1977504 0.84 APP (0.54) KMT2AOPRD1OPRK1HTTSMN1; SMN2
SCHEMBL4630326 0.83 MEN1 (0.55) MEN1KMT2ASTSOPRD1OPRK1
SCHEMBL4630446 0.83 RORC (0.50) RORCOPRD1OPRK1JAK2JAK1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221817-A1 NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES Nivien Therapeutics Compny (US) 2021-07-22 US disclosed
WO-2020047037-A1 NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES NIVIEN THERAPEUTICS COMPANY (US) 2020-03-05 WO disclosed
WO-2020047037-A1 NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES NIVIEN THERAPEUTICS COMPANY (US) 2020-03-05 WO disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-9328091-B2 5H-cyclopenta[d]pyrimidines as AKT protein kinase inhibitors GENENTECH, INC. (US) 2016-05-03 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2015-09-24 US disclosed
US-8895566-B2 5H-cyclopenta[d]pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-25 US disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
EP-1812003-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2007-08-01 EP disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136821-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136823-A1 HETEROCYCLIC CONTAINING AMINES AS KINASE B INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136837-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
EP-1706385-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2006-10-04 EP disclosed
WO-2006046023-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 WO disclosed
WO-2005061463-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-07-07 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 (3 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-20210221817-A1 NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES LATS1, LATS2, YAP1 MEN1 3824/4885KMT2A 2721/4885STS 1320/4885
US-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT3, AKT2 MEN1 3499/4885KMT2A 4172/4885STS 1795/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 MEN1 3759/4885KMT2A 1820/4885STS 4006/4885

“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.