SCHEMBL6400416

SCHEMBL6400416

CCc1ccc(Nc2c(-c3nnc(CNCCc4ccccn4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C19 P33261 1/20 0.32
CD274 Q9NZQ7 2/20 0.32
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL6398380 0.88 MAP2K1 (0.38) KDM4ECYP1A2CYP2D6ALDH1A1KMT2A
SCHEMBL6406191 0.87 ALDH1A1 (0.38) KDM4EALDH1A1KMT2APOLBMEN1
SCHEMBL6400379 0.86 KDR (0.33) KDM4EALDH1A1L3MBTL1
SCHEMBL6206929 0.83 CDC7 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6400419 0.82 KDM4E (0.38) KDM4ECYP1A2CYP2D6ALDH1A1KMT2A
SCHEMBL6207753 0.81 MAP2K2 (0.34) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL6206940 0.80 TGFBR1 (0.30) TGFBR1TGFBR2
SCHEMBL6208372 0.78 TSHR (0.35) KDM4ECYP1A2CYP2D6POLBCYP2C19
SCHEMBL6207830 0.77 APLNR (0.33) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL6207380 0.77 TUBB4A (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 759/4885CYP1A2 1726/4885CYP2D6 1946/4885

“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.