SCHEMBL1298355

SCHEMBL1298355

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3ccc(COCCCN4CCOCC4)n23)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.37
IGF1R P08069 5/20 0.36
JAK3 P52333 5/20 0.34
JAK1 P23458 3/20 0.34
TYK2 P29597 3/20 0.34
JAK2 O60674 3/20 0.34
RET P07949 1/20 0.34
AURKB Q96GD4 2/20 0.34
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
NTRK1 P04629 2/20 0.32

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
SCHEMBL1298354 0.97 AURKA (0.39) AURKAIGF1RJAK3JAK1TYK2
SCHEMBL1298489 0.91 AURKA (0.39) AURKAIGF1RJAK3JAK1TYK2
SCHEMBL1298437 0.90 IGF1R (0.36) AURKAIGF1RRETAURKBNTRK1
SCHEMBL1298967 0.90 AURKA (0.36) AURKAIGF1RRETAURKBNTRK1
SCHEMBL1298281 0.87 JAK3 (0.39) AURKAJAK3JAK1TYK2JAK2
SCHEMBL1298666 0.85 DHODH (0.36) AURKARETAURKBNTRK1
SCHEMBL1298720 0.85 DHODH (0.38) AURKAJAK3JAK1TYK2JAK2
SCHEMBL1298249 0.81 KMT2A (0.43) AURKAJAK3JAK2RETAURKB
SCHEMBL1298396 0.81 AURKA (0.34) AURKARETAURKBMAPK11MAPK14
SCHEMBL1298730 0.81 CD274 (0.43) AURKA

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 4 patents. 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 claimed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO claimed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 AURKA 601/4885IGF1R 2487/4885JAK3 3/4885

“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.