SCHEMBL17653137

SCHEMBL17653137

COc1cc2nc(CCC(C)C)[nH]c(=O)c2cc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
GAA P10253 1/20 0.51
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
AAK1 Q2M2I8 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
THRB P10828 1/20 0.40
CASP1 P29466 1/20 0.40
HBB P68871 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL17653127 0.90 KDM4E (0.56) KDM4EGAAMAPTTDP1AAK1
SCHEMBL17653105 0.83 KDM4E (0.60) KDM4EGAAMAPTTDP1AAK1
SCHEMBL17653153 0.78 TUBB4A (0.44) KDM4EAAK1MAPK1ALDH1A1TUBB4A
SCHEMBL17653171 0.76 ALDH1A1 (0.39) KDM4EMAPTTDP1AAK1LMNA
SCHEMBL17653192 0.76 AAK1 (0.55) KDM4EAAK1
SCHEMBL17653387 0.74 AAK1 (0.51) KDM4EGAATDP1AAK1LMNA
SCHEMBL17653191 0.73 TUBB4A (0.46) KDM4EGAAMAPTAAK1MAPK1
SCHEMBL17653155 0.72 TUBB4A (0.43) KDM4EAAK1MAPK1ALDH1A1TUBB4A
SCHEMBL28875071 0.70 KDM4E (0.64) KDM4EGAAMAPTTDP1LMNA
SCHEMBL27167377 0.70 KDM4E (0.72) KDM4EGAAMAPTTDP1LMNA

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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
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
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 KDM4E 1536/4885GAA 3076/4885MAPT 1855/4885

“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.