SCHEMBL6399220

SCHEMBL6399220

CCc1ccc(Nc2c(-c3nnc(NCCN4CCOCC4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.43
KCNH2 Q12809 10/20 0.43
CHRNA1 P02708 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CHRNB2 P17787 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNA4 P43681 1/20 0.43
MAP3K8 P41279 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
TRPC5 Q9UL62 1/20 0.40
CSF1R P07333 1/20 0.39
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL6403620 0.95 CHRNA7 (0.48) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6207124 0.91 CHRNA7 (0.42) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6189562 0.90 CHRNA7 (0.44) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6190172 0.90 CHRNA7 (0.44) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL15598681 0.90 CHRNA7 (0.44) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6190835 0.89 CHRNA7 (0.45) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6207914 0.88 CHRNA7 (0.51) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL6207045 0.88 MAP2K2 (0.47) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL29371646 0.88 MAP2K2 (0.47) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4
SCHEMBL6403862 0.88 CHRNA7 (0.42) CHRNA7KCNH2CHRNA1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US claimed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 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-20050004186-A1 MEK inhibiting compounds MAPK1, MAP3K1, MAPK3 CHRNA7 4667/4885KCNH2 3852/4885CHRNA1 4381/4885

“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.