SCHEMBL12188581

SCHEMBL12188581

CC(=O)[C@@H](CN1CCNC(=O)C1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NTSR1 P30989 1/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MDM2 Q00987 4/20 0.37
▸ THRB P10828 3/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ BRD4 O60885 1/20 0.37

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
SCHEMBL16151961 0.89 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ARAB9AALDH1A1POLB
SCHEMBL680750 0.88 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AATMSLC6A2SLC6A4
SCHEMBL2738594 0.88 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AATMSLC6A2SLC6A4
SCHEMBL12188340 0.85 SLC6A2 (0.52) SLC6A2SLC6A4NTSR1ALDH1A1OPRM1
SCHEMBL12188341 0.85 SLC6A2 (0.52) SLC6A2SLC6A4NTSR1ALDH1A1OPRM1
SCHEMBL12188434 0.78 NTSR1 (0.56) SMN1; SMN2KMT2AATMSLC6A2RAB9A
SCHEMBL12188535 0.78 NTSR1 (0.56) SMN1; SMN2KMT2AATMSLC6A2RAB9A
SCHEMBL684723 0.78 NTSR1 (0.59) SMN1; SMN2ATMRAB9ANTSR1ALDH1A1
SCHEMBL684408 0.78 NTSR1 (0.56) SMN1; SMN2KMT2AATMSLC6A2RAB9A
SCHEMBL14288313 0.76 ALDH1A1 (0.48) KMT2ASLC6A2NTSR1ALDH1A1POLB

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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 — — US disclosed
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-20140349997-A1 HYDROXYLATED AND METHOXYLATED 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-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 — — 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 (5 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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 SMN1; SMN2 3584/4885KMT2A 1785/4885ATM 667/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SMN1; SMN2 3564/4885KMT2A 1884/4885ATM 756/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SMN1; SMN2 3564/4885KMT2A 1884/4885ATM 756/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SMN1; SMN2 3564/4885KMT2A 1884/4885ATM 756/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SMN1; SMN2 3564/4885KMT2A 1884/4885ATM 756/4885

“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.

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