SCHEMBL1408536

SCHEMBL1408536

O=C(Cc1ccc(-n2cnc3ccccc32)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.74
KDR P35968 1/20 0.74
AURKB Q96GD4 1/20 0.74
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
RET P07949 2/20 0.54
RXFP1 Q9HBX9 1/20 0.53
NLRP3 Q96P20 1/20 0.52
NTRK1 P04629 2/20 0.52
XBP1 P17861 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX12 P18054 1/20 0.51
NTRK2 Q16620 1/20 0.51
P2RY14 Q15391 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
PIN1 Q13526 1/20 0.49

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
SCHEMBL1408170 0.88 KDR (0.58) AURKAKDRAURKBMEN1KMT2A
SCHEMBL1408502 0.86 AURKA (0.55) AURKAKDRAURKBMEN1KMT2A
SCHEMBL2200833 0.83 AURKA (0.52) AURKAKDRAURKBLMNASMN1; SMN2
SCHEMBL2202017 0.82 NR2E1 (0.77) NR2E1
SCHEMBL2202607 0.81 AURKA (0.50) AURKAKDRAURKBLMNASMN1; SMN2
SCHEMBL2202246 0.81 AURKA (0.49) AURKAKDRAURKBMEN1KMT2A
SCHEMBL2205887 0.80 AURKA (0.51) AURKAKDRAURKBLMNASMN1; SMN2
SCHEMBL3035199 0.80 SMN1; SMN2 (0.67) AURKAKDRAURKBMAPTLMNA
SCHEMBL2203765 0.79 MKNK2 (0.52) AURKAKDRAURKBLMNARET
SCHEMBL1408423 0.79 AURKA (0.50) AURKAKDRAURKBLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 US disclosed
US-8030311-B2 Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP disclosed
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors NOVARTIS AG (CH) 2008-12-25 US disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 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 (2 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-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 AURKA 198/4885KDR 1923/4885AURKB 287/4885
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 AURKA 189/4885KDR 1839/4885AURKB 272/4885

“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.