SCHEMBL3668112

SCHEMBL3668112

N#Cc1cccc2c1C1(CCN(Cc3ccccc3)CC1)C(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 4/20 0.49
CASP1 P29466 3/20 0.49
USP2 O75604 2/20 0.49
ALOX15 P16050 1/20 0.49
OPRM1 P35372 2/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
MCHR1 Q99705 2/20 0.43

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
SCHEMBL19211016 0.84 HTR1A (0.49) TNKSTNKS2ALDH1A1HSD17B10OPRM1
SCHEMBL3669746 0.81 L3MBTL1 (0.48) TNKSTNKS2ALDH1A1KDM4EHSD17B10
SCHEMBL19235306 0.81 TNKS (0.47) TNKSTNKS2ALDH1A1KDM4EHSD17B10
SCHEMBL29444501 0.81 OPRL1 (0.46) ALDH1A1HSD17B10OPRM1DRD2DRD4
SCHEMBL19235261 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10OPRM1DRD2
SCHEMBL10205826 0.80 TNKS (0.54) TNKSTNKS2
SCHEMBL19235264 0.80 ADRA1B (0.47) ALDH1A1KDM4EOPRM1MEN1KMT2A
SCHEMBL4952229 0.79 OPRL1 (0.60) ALDH1A1HSD17B10OPRM1MEN1KMT2A
SCHEMBL20954954 0.79 ALDH1A1 (0.51) TNKSTNKS2ALDH1A1KDM4EHSD17B10
SCHEMBL20783508 0.79 DRD2 (0.49) ALDH1A1HSD17B10OPRM1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884096-B Spiroindolinones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2022-03-22 CN disclosed
EP-3414247-B1 SPIROINDOLINONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
EP-3414247-B1 SPIROINDOLINONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
US-20190071444-A1 SPIROINDOLINONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-03-07 US disclosed
WO-2017137334-A1 SPIROINDOLINONES AS DDR1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-17 WO disclosed
US-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
EP-2240483-B1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-02-27 EP disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 US disclosed
EP-2240483-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-20 EP disclosed
WO-2009089454-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA TNKS 319/4885TNKS2 352/4885ALDH1A1 2944/4885
US-20190071444-A1 SPIROINDOLINONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 TNKS 92/4885TNKS2 215/4885ALDH1A1 1199/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 TNKS 285/4885TNKS2 338/4885ALDH1A1 2929/4885

“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.