SCHEMBL17653126

SCHEMBL17653126

CC(C)CC(NC(=O)O)c1nc2ccc(Br)cc2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.55
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
MAPT P10636 1/20 0.43
MMP1 P03956 5/20 0.43
MMP3 P08254 5/20 0.43
MMP7 P09237 5/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 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
SCHEMBL17663534 0.87 AAK1 (0.58) AAK1GAANPSR1MAPTMMP1
SCHEMBL17493962 0.86 AAK1 (0.71) AAK1MAPTMMP1MMP3MMP7
SCHEMBL17663473 0.84 AAK1 (0.80) AAK1
SCHEMBL17493898 0.84 AAK1 (0.59) AAK1MMP1MMP3MMP7ALDH1A1
SCHEMBL19252992 0.83 AAK1 (0.59) AAK1
SCHEMBL17653374 0.82 AAK1 (0.44) AAK1GAAMMP1MMP3MMP7
SCHEMBL19252998 0.79 AAK1 (0.60) AAK1
SCHEMBL15156951 0.74 AAK1 (0.56) AAK1MAPTALDH1A1KDM4E
SCHEMBL17493879 0.73 AAK1 (0.46) AAK1RXFP1MMP1MMP3MMP7
SCHEMBL17493735 0.73 AAK1 (0.56) AAK1MMP1MMP3MMP7ALDH1A1

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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
EP-3200797-A1 QUINAZOLINE-BASED KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-09 EP disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS AAK1, ULK1, NCK1 AAK1 1/4885GAA 3076/4885NPSR1 4463/4885

“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.