SCHEMBL6399733

SCHEMBL6399733

CCc1ccc(Nc2c(-c3nnc(NCc4csc(-c5cccs5)n4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 4/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 3/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 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
SCHEMBL6207039 0.96 KDM4E (0.39) KDM4EMAPTALDH1A1RAB9ALMNA
SCHEMBL6206308 0.86 TRPC5 (0.37) KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL6399213 0.83 LMNA (0.34) LMNA
SCHEMBL6396876 0.81 FLT3 (0.37) MAPTRAB9A
SCHEMBL6206929 0.81 CDC7 (0.45)
SCHEMBL6399621 0.80 KDR (0.46)
SCHEMBL6207571 0.80 TRPC5 (0.40) RAB9ANPC1SMN1; SMN2
SCHEMBL6209514 0.79 TRPC5 (0.38) LMNASMN1; SMN2TSHR
SCHEMBL6398977 0.78 KDR (0.34)
SCHEMBL6208644 0.77 CDC7 (0.46) KDM4EMAPTALDH1A1POLB

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 KDM4E 759/4885MAPT 3149/4885ALDH1A1 1628/4885

“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.