SCHEMBL680065

SCHEMBL680065

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
FFAR2 O15552 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
KCNQ2 O43526 1/20 0.35
HPGD P15428 2/20 0.35
AKT1 P31749 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL681135 0.86 L3MBTL1 (0.40) L3MBTL1FFAR2POLBMEN1KMT2A
SCHEMBL681680 0.86 L3MBTL1 (0.40) L3MBTL1FFAR2POLBMEN1KMT2A
SCHEMBL681545 0.86 L3MBTL1 (0.40) L3MBTL1FFAR2POLBMEN1KMT2A
SCHEMBL679615 0.85 HTT (0.45) HTTL3MBTL1FFAR2POLBMEN1
SCHEMBL684140 0.82 HTT (0.47) HTTL3MBTL1FFAR2POLBTSHR
SCHEMBL12194498 0.82 FFAR2 (0.41) L3MBTL1FFAR2POLBMEN1KMT2A
SCHEMBL8224409 0.81 HTT (0.46) HTTL3MBTL1FFAR2POLBMEN1
SCHEMBL12194480 0.78 CYP2D6 (0.58) HTTPOLBMEN1KMT2ANPSR1
SCHEMBL681142 0.78 KMT2A (0.42) L3MBTL1FFAR2POLBKMT2ANPSR1
SCHEMBL681371 0.78 KMT2A (0.42) L3MBTL1FFAR2POLBKMT2ANPSR1

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 6 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-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 HTT 2471/4885L3MBTL1 2579/4885FFAR2 1730/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 HTT 2644/4885L3MBTL1 2697/4885FFAR2 1867/4885

“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.