SCHEMBL17653085

SCHEMBL17653085

CSc1nc(CCC(C)C)nc2ccc(C=O)cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
IP6K1 Q92551 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
PTK2B Q14289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 2/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17653149 0.88 AAK1 (0.43) AAK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL17653358 0.81 AAK1 (0.45) AAK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL17653260 0.80 PDE10A (0.41) AAK1MEN1KMT2AMAPTALDH1A1
SCHEMBL17653201 0.80 AAK1 (0.40) AAK1MEN1KMT2AMAPTALDH1A1
SCHEMBL17653148 0.80 AAK1 (0.40) AAK1MEN1KMT2AMAPTALDH1A1
SCHEMBL17653113 0.72 AAK1 (0.50) AAK1
SCHEMBL17653153 0.71 TUBB4A (0.44) AAK1KMT2AALDH1A1KDM4EIP6K1
SCHEMBL17653415 0.68 AAK1 (0.40) AAK1
SCHEMBL17653224 0.68 AAK1 (0.40) AAK1MAPTALDH1A1KDM4E
SCHEMBL17653238 0.68 PDE10A (0.41) AAK1

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 AAK1 1/4885L3MBTL1 1727/4885MEN1 3689/4885

“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.