SCHEMBL17094872

SCHEMBL17094872

Cc1c(C=O)cccc1NC(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPY5R Q15761 1/20 0.49
NPC1 O15118 2/20 0.49
ABCC1 P33527 1/20 0.49
GAA P10253 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL15653413 0.88 POLB (0.52) KDM4EALDH1A1TSHRHSD17B10RAB9A
SCHEMBL15653098 0.88 PKM (0.49) KDM4EALDH1A1TSHRHSD17B10RAB9A
SCHEMBL15652412 0.86 POLB (0.55) KDM4EALDH1A1TSHRHSD17B10RAB9A
SCHEMBL15650848 0.85 KDM4E (0.58) KDM4EALDH1A1HSD17B10RAB9ASMN1; SMN2
SCHEMBL15652732 0.83 MAPT (0.49) KDM4EALDH1A1TSHRHSD17B10RAB9A
SCHEMBL15652188 0.83 LMNA (0.56) KDM4EALDH1A1TSHRRAB9ACYP2C9
SCHEMBL15653222 0.82 KDM4E (0.45) KDM4EALDH1A1HSD17B10RAB9ASMN1; SMN2
SCHEMBL15653595 0.82 KDM4E (0.60) KDM4EALDH1A1HSD17B10RAB9ASMN1; SMN2
SCHEMBL15652116 0.81 KDM4E (0.53) KDM4EALDH1A1HSD17B10RAB9ASMN1; SMN2
SCHEMBL17095018 0.80 MAPT (0.55) TSHRRAB9ANPC1GAAMAPT

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
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150080426-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 AUSPEX PHARMACEUTICALS, INC. 2015-03-19 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1409/4885ALDH1A1 3674/4885TSHR 1435/4885
US-20150080426-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 SLC18A2, ACAT2, SLC6A2 KDM4E 1325/4885ALDH1A1 695/4885TSHR 3869/4885

“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.