SCHEMBL14036742

SCHEMBL14036742

CC(=O)NCc1ccc2c(c1)CC(CF)(c1ccccc1)N=C2N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
KIF11 P52732 2/20 0.36
PTPN1 P18031 2/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
HDAC1 Q13547 1/20 0.35
KMT2A Q03164 1/20 0.34
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL14010667 0.83 PDK2 (0.48) PDK2KIF11PTPN1HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL5005103 0.81 PDK2 (0.46) PDK2KIF11PTPN1HTR2AHTR2C
SCHEMBL5005104 0.68 LMNA (0.37) PDK2KMT2AERCC1ERCC4
SCHEMBL18779301 0.64 HDAC1 (0.57) PDK2KIF11HDAC1KMT2A
SCHEMBL27393194 0.64 MAPK14 (0.52) PDK2HDAC1KMT2ANPC1POLB
SCHEMBL16250732 0.63 MAPK14 (0.54) PDK2HDAC1KMT2ANPC1POLB
SCHEMBL97001 0.61 KMT2A (0.68) PTPN1HDAC1KMT2APOLBRAB9A
SCHEMBL7366509 0.60 KMT2A (0.53) PDK2KIF11HDAC1KMT2APOLB
Cyclopropane SCHEMBL6695009 0.60 KMT2A (0.61) PTPN1HTR2AHTR2CHTR2BHDAC1
SCHEMBL8281923 0.60 KMT2A (0.49) PDK2KIF11HDAC1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 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-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies PSEN2, APP, PSEN1 PDK2 2218/4885KIF11 4801/4885PTPN1 4832/4885

“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.