SCHEMBL6400419

SCHEMBL6400419

CCc1ccc(Nc2c(-c3nnc(N(C)CCc4ccccn4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
TSHR P16473 3/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
HIF1A Q16665 1/20 0.35
GNRHR P30968 2/20 0.34
AXL P30530 2/20 0.33
FLT3 P36888 2/20 0.33
MERTK Q12866 2/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 2/20 0.32
NAPEPLD Q6IQ20 1/20 0.31
RECQL P46063 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
SCHEMBL6208372 0.95 TSHR (0.35) KDM4ETSHRPOLBTDP1CYP2D6
SCHEMBL6398384 0.89 MAP2K1 (0.38) TSHRCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6400380 0.86 FLT1 (0.32) AXLFLT3MERTK
SCHEMBL6206946 0.86 MAP2K1 (0.34) TSHRCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6406191 0.83 ALDH1A1 (0.38) KDM4EPOLBRAB9AHSD17B10ALDH1A1
SCHEMBL6400416 0.82 KDM4E (0.35) KDM4EPOLBTDP1CYP2D6CYP2C19
SCHEMBL6207240 0.81
SCHEMBL6206929 0.81 CDC7 (0.45)
SCHEMBL6206842 0.79
SCHEMBL6206940 0.79 TGFBR1 (0.30)

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 759/4885TSHR 2576/4885POLB 1694/4885

“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.