SCHEMBL684723

SCHEMBL684723

CC(=O)C(CN1CCCC1)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.59
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.49
MITF O75030 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.45
BRD4 O60885 1/20 0.45
KCNQ2 O43526 1/20 0.44
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL684408 0.97 NTSR1 (0.56) NTSR1USP2ALOX15POLBTSHR
SCHEMBL12188535 0.97 NTSR1 (0.56) NTSR1USP2ALOX15POLBTSHR
SCHEMBL12188434 0.97 NTSR1 (0.56) NTSR1USP2ALOX15POLBTSHR
SCHEMBL12188339 0.88 MEN1 (0.54) NTSR1USP2POLBTSHRALDH1A1
SCHEMBL14288313 0.88 ALDH1A1 (0.48) NTSR1POLBTSHRALDH1A1PAX8
SCHEMBL12219561 0.88 ALDH1A1 (0.48) NTSR1POLBTSHRALDH1A1PAX8
SCHEMBL12188472 0.88 MEN1 (0.54) NTSR1USP2POLBTSHRALDH1A1
SCHEMBL14295079 0.88 ALDH1A1 (0.48) NTSR1POLBTSHRALDH1A1PAX8
SCHEMBL12188386 0.88 PAX8 (0.52) NTSR1MITFALDH1A1SMN1; SMN2HTT
SCHEMBL12188383 0.88 PAX8 (0.52) NTSR1MITFALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 US disclosed
US-9303040-B2 Substituted piperazines as AKT inhibitors ARRAY BIOPHARMA INC. (US) 2016-04-05 US disclosed
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-07-09 US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 US disclosed
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-20130065908-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-14 US disclosed
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 US disclosed
US-8329701-B2 Dihydrofuro pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-11 US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-11-03 US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 US 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 (11 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 NTSR1 4028/4885USP2 3926/4885ALOX15 2996/4885
US-20130065908-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA NTSR1 4471/4885USP2 3668/4885ALOX15 3530/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 NTSR1 4515/4885USP2 2502/4885ALOX15 2526/4885
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, PIK3CA, DTYMK NTSR1 4424/4885USP2 3891/4885ALOX15 3641/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 NTSR1 4515/4885USP2 2502/4885ALOX15 2526/4885
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA NTSR1 4396/4885USP2 3744/4885ALOX15 3962/4885
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA NTSR1 4471/4885USP2 3668/4885ALOX15 3530/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 NTSR1 4515/4885USP2 2502/4885ALOX15 2526/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 NTSR1 4515/4885USP2 2502/4885ALOX15 2526/4885
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 NTSR1 3728/4885USP2 3024/4885ALOX15 2811/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 NTSR1 3728/4885USP2 3024/4885ALOX15 2811/4885

“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.