SCHEMBL1014893

SCHEMBL1014893

CCc1ncc(C(=O)NCC2CCCO2)c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HSD17B10 Q99714 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALOX15 P16050 1/20 0.51
HPGD P15428 7/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HIF1A Q16665 1/20 0.48
TP53 P04637 1/20 0.48
RCE1 Q9Y256 1/20 0.48
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL5421347 0.74 HPGD (0.55) MEN1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL5426101 0.74 HPGD (0.55) MEN1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL1015331 0.74 FLT3 (0.45) HPGDLMNA
SCHEMBL13162030 0.74 KMT2A (0.59) MEN1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL13162046 0.74 KMT2A (0.59) MEN1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL28323432 0.74 HPGD (0.63) MEN1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL13162627 0.73 MAPT (0.77) MEN1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL13162949 0.73 MAPT (0.77) MEN1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL13162950 0.73 MAPT (0.77) MEN1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL23553433 0.72 POLB (0.67) MEN1KMT2ASMN1; SMN2L3MBTL1HPGD

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
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 MEN1 1994/4885KMT2A 1860/4885KDM4E 1727/4885

“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.