SCHEMBL10165840

SCHEMBL10165840

CC(C)C(=O)CCc1cn2cccnc2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.47
ALDH1A1 P00352 12/20 0.47
HPGD P15428 6/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 4/20 0.46
HSD17B10 Q99714 2/20 0.46
RCE1 Q9Y256 1/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL10205883 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL12463811 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL12463617 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL538320 0.76 KDM4E (0.56) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL9946224 0.76 KDM4E (0.56) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL7969399 0.76 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL21186363 0.75 KDM4E (0.55) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL19764530 0.74 KDM4E (0.51) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL9569958 0.73 KDM4E (0.58) KDM4EALDH1A1HPGDPKMNPC1
SCHEMBL9597409 0.73 KDM4E (0.58) KDM4EALDH1A1HPGDPKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KDM4E 2041/4885ALDH1A1 1098/4885HPGD 2227/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KDM4E 2041/4885ALDH1A1 1098/4885HPGD 2227/4885

“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.