SCHEMBL3722865

SCHEMBL3722865

NCc1cccc2c1C1(CCN(Cc3ccccc3)C1)CN2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.48
TSHR P16473 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP3A4 P08684 4/20 0.43
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 5/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 2/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 2/20 0.39
DRD2 P14416 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38

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 0.93 OPRL1 (0.53) OPRL1TSHRCYP2D6CYP3A4POLB
Trifluoroacetic Acid SCHEMBL3721770 0.91 PRNP (0.46) OPRL1TSHRCYP2D6CYP3A4POLB
SCHEMBL29444528 0.84 TSHR (0.45) TSHRCYP2D6CYP3A4POLBGAA
SCHEMBL6526247 0.82 HDAC1 (0.40) TSHRCYP2D6CYP3A4L3MBTL1SIGMAR1
SCHEMBL3723903 0.78 CYP2D6 (0.37) TSHRCYP2D6CYP3A4GAAL3MBTL1
Hydrochloric Acid SCHEMBL3667689 0.78 POLB (0.44) OPRL1TSHRCYP2D6CYP3A4POLB
SCHEMBL6526248 0.77 CYP2D6 (0.41) TSHRCYP2D6CYP3A4L3MBTL1CYP2C19
SCHEMBL12791370 0.76 NCF1 (0.38) OPRL1GAASIGMAR1CYP1A2KMT2A
SCHEMBL3663768 0.75 SIGMAR1 (0.43) OPRL1TSHRCYP2D6CYP3A4POLB
SCHEMBL3668098 0.75 POLB (0.46) OPRL1TSHRCYP2D6CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 OPRL1 4151/4885TSHR 3855/4885CYP2D6 1028/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 OPRL1 3868/4885TSHR 3750/4885CYP2D6 998/4885

“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.