SCHEMBL17653238

SCHEMBL17653238

C=Cc1ccc2nc(CCC(C)C)nc(N(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.41
AAK1 Q2M2I8 3/20 0.40
HTR3A P46098 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
TYMS P04818 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL17653260 0.88 PDE10A (0.41) PDE10AAAK1EGLN1
SCHEMBL17653174 0.81 PDE10A (0.44) PDE10AAAK1
SCHEMBL17653415 0.80 AAK1 (0.40) AAK1HTR3AHRH4IRAK4TYMS
SCHEMBL17653149 0.80 AAK1 (0.43) AAK1TYMS
SCHEMBL17653224 0.80 AAK1 (0.40) AAK1TYMS
SCHEMBL17653304 0.72 AAK1 (0.65) AAK1
SCHEMBL17653155 0.70 TUBB4A (0.43) PDE10AAAK1TYMSPIM1PIM2
SCHEMBL17653401 0.69 AAK1 (0.57) PDE10AAAK1IRAK4
SCHEMBL31031354 0.68 CYP1A2 (0.55) IRAK4
SCHEMBL17653201 0.68 AAK1 (0.40) AAK1HTR3AHRH4

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 PDE10A 3746/4885AAK1 1/4885HTR3A 2832/4885

“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.