SCHEMBL681545

SCHEMBL681545

C=C(C(C)C)C(CNC(C)C)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
AKT1 P31749 9/20 0.40
AKT2 P31751 9/20 0.40
AKT3 Q9Y243 9/20 0.40
PIK3CA P42336 1/20 0.39
PRKG1 Q13976 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR2 O15552 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL681680 1.00 L3MBTL1 (0.40) L3MBTL1POLBAKT1AKT2AKT3
SCHEMBL681135 1.00 L3MBTL1 (0.40) L3MBTL1POLBAKT1AKT2AKT3
SCHEMBL680065 0.86 HTT (0.42) L3MBTL1POLBAKT1MEN1RAB9A
SCHEMBL17803795 0.85 ADRB2 (0.43) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL680095 0.85 ADRB2 (0.43) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL16746064 0.85 POLB (0.44) L3MBTL1POLBAKT1AKT2AKT3
SCHEMBL17803819 0.84 KDM4E (0.42) L3MBTL1POLBALDH1A1MEN1RAB9A
SCHEMBL679619 0.84 AKT1 (0.43) L3MBTL1POLBAKT1AKT2AKT3
SCHEMBL680689 0.84 AKT1 (0.43) L3MBTL1POLBAKT1AKT2AKT3
SCHEMBL680930 0.84 AKT1 (0.43) L3MBTL1POLBAKT1AKT2AKT3

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-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-07-09 US disclosed
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-8329701-B2 Dihydrofuro pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-11 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-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

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-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA L3MBTL1 2579/4885POLB 385/4885AKT1 9/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 L3MBTL1 2697/4885POLB 751/4885AKT1 3/4885

“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.