SCHEMBL9898356

SCHEMBL9898356

CCOC(=O)C1(COC)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.56
KMT2A Q03164 14/20 0.56
ALDH1A1 P00352 12/20 0.56
POLB P06746 3/20 0.54
P4HB P07237 1/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
BLM P54132 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL9899355 0.85 CHRM2 (0.50) ALDH1A1BLMMAPK1
SCHEMBL8670380 0.85 LMNA (0.63) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL9897988 0.82 BLM (0.52) MEN1KMT2AALDH1A1POLBP4HB
SCHEMBL31643319 0.80 KMT2A (0.67) MEN1KMT2AALDH1A1POLBP4HB
SCHEMBL9928307 0.79 BLM (0.52) MEN1KMT2AALDH1A1BLMMAPK1
SCHEMBL9928310 0.79 BLM (0.51) ALDH1A1BLMMAPK1
SCHEMBL9231221 0.77 MEN1 (0.47) MEN1KMT2AALDH1A1POLBP4HB
SCHEMBL14264506 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1POLBP4HB
SCHEMBL3632940 0.76 KMT2A (0.49) MEN1KMT2AALDH1A1POLBP4HB
SCHEMBL28978286 0.76 ALDH1A1 (0.49) ALDH1A1BLMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO disclosed
EP-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 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 (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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 MEN1 1924/4885KMT2A 3467/4885ALDH1A1 1101/4885

“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.