SCHEMBL3706480

SCHEMBL3706480

Nc1ccc(F)c(C(O)c2c[nH]c3ncc(C(F)(F)F)cc23)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
RIPK1 Q13546 4/20 0.34
CCNT1 O60563 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CDK9 P50750 2/20 0.34
CYP3A4 P08684 1/20 0.33
MAP4K1 Q92918 1/20 0.33
LMNA P02545 1/20 0.32
TRPA1 O75762 1/20 0.32
IGF1R P08069 2/20 0.32
CLK1 P49759 2/20 0.32
DYRK1A Q13627 2/20 0.32
BRAF P15056 1/20 0.32
GSK3B P49841 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
FEN1 P39748 1/20 0.31
SCN9A Q15858 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
SCHEMBL3706478 0.85 CAMKK2 (0.37) BRD4RIPK1LMNACLK1DYRK1A
SCHEMBL3505627 0.84 BRAF (0.41) BRD4CYP3A4MAP4K1DYRK1ABRAF
SCHEMBL2890699 0.84 BRAF (0.39) BRD4CDK2CYP3A4MAP4K1LMNA
SCHEMBL3504302 0.83 BRD4 (0.37) BRD4CYP3A4MAP4K1CLK1DYRK1A
SCHEMBL3505507 0.82 MTNR1A (0.38) CCNT1CCNA2CDK2CDK9CYP3A4
SCHEMBL3707351 0.82 GSK3B (0.54) CDK2DYRK1AGSK3B
SCHEMBL2898885 0.82 CYP3A4 (0.40) BRD4CYP3A4MAP4K1GSK3B
SCHEMBL3508007 0.81 BRD4 (0.34) BRD4CYP3A4MAP4K1GSK3B
SCHEMBL3505867 0.81 CCNT1 (0.45) CCNT1CCNA2CDK2CDK9CLK1
SCHEMBL3700075 0.81 CDC7 (0.34) CCNT1CDK2CDK9CYP3A4MAP4K1

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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF BRD4 2367/4885RIPK1 637/4885CCNT1 618/4885

“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.