SCHEMBL14036741

SCHEMBL14036741

N#Cc1ccc2c(c1)CC(CF)(c1ccccc1)N=C2N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.35
ADORA2A P29274 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PDK2 Q15119 1/20 0.32
PNMT P11086 3/20 0.32
TYRO3 Q06418 1/20 0.32

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
SCHEMBL8240599 0.80 PDK2 (0.40) BACE1ADORA2ACYP11B1CYP11B2PDK2
Hydrochloric Acid SCHEMBL5002152 0.79 PDK2 (0.40) BACE1ADORA2ACYP11B1CYP11B2PDK2
SCHEMBL14036901 0.73
SCHEMBL14036742 0.73 PDK2 (0.42) PDK2
SCHEMBL5001690 0.70 BACE1 (0.38) BACE1ADORA2APDK2
SCHEMBL5002063 0.66 BACE1 (0.43) BACE1
SCHEMBL20080425 0.59 PDK2 (0.51) PDK2
SCHEMBL23782830 0.59 HTR2A (0.38) CYP11B1CYP11B2PDK2PNMT
SCHEMBL14010655 0.59 NOS3 (0.38) BACE1
SCHEMBL16014964 0.58 KDM1A (0.42) BACE1PDK2PNMT

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 BACE1 4/4885ADORA2A 500/4885CYP11B1 1071/4885

“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.