SCHEMBL12733362

SCHEMBL12733362

Oc1ncnc2cc(-c3ccc(F)cc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.53
AURKB Q96GD4 4/20 0.41
CSF1R P07333 2/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
PDE10A Q9Y233 1/20 0.38
TGFBR1 P36897 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL3334868 0.86 MAP4K4 (0.66) MAP4K4RAF1BRAFUSP2LMNA
SCHEMBL31549968 0.85 CSF1R (0.42) MAP4K4CSF1RPDE10AMEN1KMT2A
SCHEMBL1766094 0.85 CSF1R (0.42) MAP4K4CSF1RPDE10AMEN1KMT2A
SCHEMBL1113980 0.79 MAP4K4 (0.53) MAP4K4AURKBCSF1RUSP2LMNA
SCHEMBL12733361 0.79 MAP4K4 (0.76) MAP4K4
SCHEMBL27980835 0.79 ALDH5A1 (0.37) MAP4K4RAF1BRAFLMNACYP1A2
SCHEMBL28066391 0.78 NR3C1 (0.39) MAP4K4RAF1BRAFPDE10AKMT2A
SCHEMBL27953882 0.74 CYP1A2 (0.53) RAF1USP2LMNACYP1A2CYP3A4
SCHEMBL3737053 0.74 HTT (0.49) MAP4K4RAF1BRAF
SCHEMBL5453911 0.74 EGFR (0.46) MAP4K4LMNAMEN1ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 US disclosed
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 US disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 MAP4K4 3145/4885AURKB 3079/4885CSF1R 4660/4885

“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.