SCHEMBL3668098

SCHEMBL3668098

Brc1cccc2c1C1(CCN(Cc3ccccc3)CC1)CN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 9/20 0.46
TSHR P16473 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 2/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
OPRL1 P41146 2/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL3668622 0.82 OPRL1 (0.53) POLBGAAL3MBTL1SIGMAR1TSHR
SCHEMBL29444535 0.81 POLB (0.43) POLBGAAL3MBTL1SIGMAR1TSHR
SCHEMBL29444526 0.81 MEN1 (0.44) POLBGAAL3MBTL1SIGMAR1TSHR
SCHEMBL6422849 0.81 SIGMAR1 (0.57) POLBGAAL3MBTL1SIGMAR1TSHR
Hydrochloric Acid SCHEMBL3667689 0.79 POLB (0.44) POLBGAAL3MBTL1SIGMAR1TSHR
SCHEMBL6520201 0.79 CYP2D6 (0.42) POLBGAAL3MBTL1SIGMAR1TSHR
Hydrochloric Acid SCHEMBL6521624 0.78 POLB (0.43) POLBGAAL3MBTL1SIGMAR1TSHR
SCHEMBL29444528 0.78 TSHR (0.45) POLBGAAL3MBTL1SIGMAR1TSHR
SCHEMBL3663768 0.77 SIGMAR1 (0.43) POLBGAAL3MBTL1SIGMAR1TSHR
SCHEMBL3665994 0.77 DRD4 (0.41) POLBGAAL3MBTL1SIGMAR1TSHR

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 8 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
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 (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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA POLB 743/4885GAA 1375/4885L3MBTL1 2430/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 POLB 917/4885GAA 1535/4885L3MBTL1 2433/4885

“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.