SCHEMBL583894

SCHEMBL583894

COC(=O)C1CCC(c2cc(Cl)n3nccc3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
TNK2 Q07912 1/20 0.36
POLB P06746 2/20 0.36
CHEK1 O14757 1/20 0.36
CCNA2 P20248 1/20 0.36
HPGD P15428 2/20 0.35
CFTR P13569 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL10236625 1.00 PDE10A (0.43) PDE10ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL10236614 0.93 PDE10A (0.42) PDE10ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL10277658 0.87 PDE10A (0.41) PDE10ALMNAMEN1KMT2ACDK2
SCHEMBL6892588 0.87 PDE10A (0.41) PDE10ALMNAMEN1KMT2ACDK2
SCHEMBL2679820 0.87 PDE10A (0.41) PDE10ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL10236624 0.87 PDE10A (0.41) PDE10ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL10236643 0.86 CDK2 (0.51) PDE10ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL585004 0.86 CDK2 (0.51) PDE10ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL16086901 0.85 PDE10A (0.48) PDE10ALMNASMN1; SMN2CDK2CCNA1
SCHEMBL10236617 0.80 CDK9 (0.38) PDE10ACDK2CCNA1CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 US disclosed
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 EP disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR PDE10A 4358/4885LMNA 3498/4885SMN1; SMN2 4224/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR PDE10A 3001/4885LMNA 3708/4885SMN1; SMN2 1798/4885

“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.