SCHEMBL6400824

SCHEMBL6400824

COc1ccc(CCN(C)c2nnc(-c3ccc(F)c(F)c3Nc3ccc(I)cc3F)o2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.38
PIM1 P11309 1/20 0.38
CAMK2B Q13554 1/20 0.38
MAP2K2 P36507 6/20 0.37
FLT1 P17948 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
BRAF P15056 1/20 0.35
MAPK1 P28482 1/20 0.35
MAP2K5 Q13163 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34

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
SCHEMBL6403621 0.86 MAP2K1 (0.39) MAP2K1PIM1CAMK2BMAP2K2BRAF
SCHEMBL6406565 0.84 PIM1 (0.39) MAP2K1PIM1CAMK2BMAP2K2FLT1
SCHEMBL6206758 0.84 MAP2K1 (0.43) MAP2K1PIM1CAMK2BMAP2K2BRAF
SCHEMBL6403645 0.82 MAP2K1 (0.42) MAP2K1PIM1CAMK2BMAP2K2BRAF
SCHEMBL6400821 0.82 TP53 (0.40) MAP2K1PIM1CAMK2BMAP2K2FLT1
SCHEMBL6398384 0.80 MAP2K1 (0.38) MAP2K1PIM1CAMK2BMAP2K2CYP1A2
SCHEMBL6206946 0.79 MAP2K1 (0.34) MAP2K1PIM1CAMK2BMAP2K2FLT1
SCHEMBL6403726 0.79 PIM1 (0.42) MAP2K1PIM1CAMK2BMAP2K2BRAF
SCHEMBL6400380 0.77 FLT1 (0.32) FLT1
SCHEMBL6189167 0.74 MAP2K1 (0.42) MAP2K1PIM1CAMK2BMAP2K2BRAF

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 MAP2K1 46/4885PIM1 74/4885CAMK2B 1041/4885

“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.