SCHEMBL3663768

SCHEMBL3663768

NCc1c(Cl)ccc2c1C1(CCN(Cc3ccccc3)CC1)CN2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
OPRL1 P41146 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 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
SCHEMBL3664887 0.83 MEN1 (0.45) SIGMAR1MEN1KMT2AL3MBTL1TSHR
SCHEMBL3668622 0.82 OPRL1 (0.53) SIGMAR1MEN1KMT2AOPRL1POLB
SCHEMBL3668098 0.77 POLB (0.46) SIGMAR1MEN1KMT2AOPRL1POLB
SCHEMBL6526254 0.76 CYP2D6 (0.41) SIGMAR1MEN1KMT2AOPRL1L3MBTL1
SCHEMBL29444528 0.76 TSHR (0.45) SIGMAR1MEN1KMT2APOLBGAA
SCHEMBL3722865 0.75 OPRL1 (0.48) SIGMAR1MEN1KMT2AOPRL1POLB
SCHEMBL29444526 0.74 MEN1 (0.44) SIGMAR1MEN1KMT2AOPRL1POLB
SCHEMBL29444535 0.74 POLB (0.43) SIGMAR1MEN1KMT2AOPRL1POLB
SCHEMBL6422849 0.73 SIGMAR1 (0.57) SIGMAR1MEN1KMT2AOPRL1POLB
SCHEMBL6520201 0.72 CYP2D6 (0.42) SIGMAR1MEN1KMT2AOPRL1POLB

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 SIGMAR1 4392/4885MEN1 2081/4885KMT2A 3145/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 SIGMAR1 4323/4885MEN1 1896/4885KMT2A 2999/4885

“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.