SCHEMBL168181

SCHEMBL168181

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3cc(CN4CCOCC4)ccc23)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.48
JAK1 P23458 2/20 0.48
JAK3 P52333 2/20 0.48
NTRK1 P04629 9/20 0.47
NTRK3 Q16288 2/20 0.46
NTRK2 Q16620 2/20 0.46
AURKA O14965 3/20 0.44
AURKB Q96GD4 2/20 0.44
PLK4 O00444 2/20 0.43
PAK4 O96013 2/20 0.43
GRM2 Q14416 1/20 0.42
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL173978 0.83 NTRK1 (0.54) TYK2JAK1JAK3NTRK1NTRK3
SCHEMBL12102453 0.82 AURKA (0.43) TYK2JAK1JAK3NTRK1AURKA
SCHEMBL175070 0.82 AURKA (0.63) TYK2JAK1JAK3NTRK1NTRK3
SCHEMBL173328 0.81 PLK4 (0.47) TYK2JAK1JAK3NTRK1PLK4
SCHEMBL173862 0.81 NTRK1 (0.52) TYK2JAK1JAK3NTRK1NTRK3
SCHEMBL174648 0.81 NTRK1 (0.52) NTRK1NTRK3NTRK2AURKAAURKB
SCHEMBL174009 0.80 NTRK1 (0.56) TYK2JAK1JAK3NTRK1NTRK3
SCHEMBL168759 0.77 NTRK1 (0.66) TYK2JAK1JAK3NTRK1NTRK3
SCHEMBL165682 0.77 AURKA (0.46) TYK2JAK1JAK3NTRK1NTRK3
SCHEMBL173976 0.77 AURKA (0.62) TYK2JAK1JAK3NTRK1NTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US claimed
EP-2611448-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP claimed
WO-2012030912-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO claimed
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
EP-2611448-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030912-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
WO-2012030912-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 TYK2 3/4885JAK1 4/4885JAK3 2/4885

“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.