SCHEMBL6072047

SCHEMBL6072047

N#Cc1c(-c2ccccc2C(F)(F)F)nc2ccccc2c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.45
BACE1 P56817 1/20 0.44
USP1 O94782 2/20 0.44
WDR48 Q8TAF3 2/20 0.44
C1R P00736 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C19 P33261 3/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CYP2C9 P11712 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
HIF1A Q16665 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL6072767 0.82 ADORA2A (0.60) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL6072331 0.80 BCHE (0.53) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL6072054 0.79 ACP1 (0.45) ACP1BACE1USP1WDR48C1R
SCHEMBL9791332 0.77 ADORA1 (0.62) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL6072030 0.75 ADORA2A (0.46) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL6072087 0.74 ADORA1 (0.65) KDM4EALDH1A1HSD17B10KMT2AADORA2A
SCHEMBL6344165 0.73 PIK3R1 (0.50) ACP1BACE1USP1WDR48C1R
SCHEMBL1847857 0.72 TRPA1 (0.43) BACE1KDM4EALDH1A1HPGDKMT2A
SCHEMBL6252164 0.72 KDM4E (0.60) KDM4EALDH1A1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL23911662 0.71 AR (0.41) BACE1KDM4EALDH1A1HPGDKMT2A

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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 ACP1 465/4885BACE1 4635/4885USP1 1822/4885

“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.