SCHEMBL683453

SCHEMBL683453

CC(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.55
▸ LMNA P02545 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MITF O75030 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ UTS2R Q9UKP6 1/20 0.41
▸ GPR139 Q6DWJ6 2/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40

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
SCHEMBL22622553 0.88 PAX8 (0.46) PAX8LMNAMAPTSMN1; SMN2TP53
SCHEMBL681256 0.88 LMNA (0.44) PAX8LMNAMAPTSMN1; SMN2TP53
SCHEMBL17424830 0.88 KDM4E (0.45) PAX8LMNAMAPTSMN1; SMN2TP53
SCHEMBL683581 0.86 MC4R (0.47) PAX8MAPTKDM4EALDH1A1MEN1
SCHEMBL685484 0.86 MC4R (0.47) PAX8MAPTKDM4EALDH1A1MEN1
SCHEMBL14295875 0.84 TACR2 (0.40) PAX8LMNAKDM4EALDH1A1CYP2D6
SCHEMBL684610 0.84 MC4R (0.43) PAX8GPR139
SCHEMBL12188583 0.84 TACR2 (0.40) PAX8LMNAKDM4EALDH1A1CYP2D6
SCHEMBL684656 0.82 PAX8 (0.56) PAX8LMNAMAPTSMN1; SMN2TP53
SCHEMBL683575 0.82 PAX8 (0.56) PAX8LMNAMAPTSMN1; SMN2TP53

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-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 — — 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 (4 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 PAX8 4199/4885LMNA 3606/4885MAPT 3730/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885LMNA 3606/4885MAPT 3868/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885LMNA 3606/4885MAPT 3868/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PAX8 4208/4885LMNA 3606/4885MAPT 3868/4885

“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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