SCHEMBL18650

SCHEMBL18650

CCOC(=O)C1(COCc2ccccc2)CCC(=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
POLB P06746 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL27498738 0.91 LMNA (0.49) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL9875164 0.88 KDM4E (0.50) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL19839917 0.87 KDM4E (0.49) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL18063293 0.86 LMNA (0.43) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL12140572 0.85 LMNA (0.45) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL6522997 0.85 OPRM1 (0.56) LMNAMEN1KMT2APOLBNPC1
SCHEMBL13435159 0.84 LMNA (0.59) LMNAMEN1KMT2AKDM4ENPC1
SCHEMBL18063140 0.81 KDM4E (0.45) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL2150274 0.81 LMNA (0.43) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL34475790 0.81 SMN1; SMN2 (0.46) LMNAMEN1KMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608669-B1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2016-06-22 EP disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
EP-2608669-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-03 EP disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 US disclosed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 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 (1 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-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RPS6KA5, PAK5 LMNA 3986/4885MEN1 4607/4885KMT2A 2921/4885

“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.