SCHEMBL1298948

SCHEMBL1298948

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3ccc(C(=O)N4CCOCC4)n23)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.45
AURKA O14965 5/20 0.37
NTRK1 P04629 2/20 0.37
ALK Q9UM73 1/20 0.37
RET P07949 1/20 0.37
JAK2 O60674 4/20 0.36
JAK3 P52333 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
AURKB Q96GD4 2/20 0.35
RIPK1 Q13546 1/20 0.35
DHODH Q02127 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL1298730 0.86 CD274 (0.43) AURKAHPGDTSHR
SCHEMBL1298935 0.85 DHODH (0.40) PAK4AURKANTRK1RETJAK2
SCHEMBL1299027 0.85 DHODH (0.40) PAK4AURKANTRK1RETJAK2
SCHEMBL1299180 0.85 JAK3 (0.41) AURKANTRK1RETJAK2JAK3
SCHEMBL1298578 0.84 DHODH (0.39) PAK4AURKANTRK1RETJAK2
SCHEMBL1298585 0.83 AURKA (0.42) PAK4AURKARETAURKB
SCHEMBL1298281 0.83 JAK3 (0.39) PAK4AURKANTRK1JAK2JAK3
SCHEMBL1298249 0.82 KMT2A (0.43) PAK4AURKARETJAK2JAK3
SCHEMBL1298407 0.82 ATM (0.42) AURKARETKDM4EHPGDTSHR
SCHEMBL1298787 0.81 KDM4E (0.37) PAK4AURKANTRK1RETJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 PAK4 396/4885AURKA 601/4885NTRK1 1980/4885

“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.