SCHEMBL4034486

SCHEMBL4034486

CN(C)C=CC(=O)c1ccc2noc(-c3ccccc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 1.00
HSP90AA1 P07900 3/20 1.00
KMT2A Q03164 6/20 0.79
MEN1 O00255 5/20 0.79
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 2/20 0.65
IP6K1 Q92551 11/20 0.64
IP6K2 Q9UHH9 9/20 0.64
IP6K3 Q96PC2 8/20 0.64
TP53 P04637 1/20 0.64
HSD17B10 Q99714 1/20 0.64
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL15503729 0.89 POLB (1.00) POLBHSP90AA1KMT2AMEN1ALDH1A1
SCHEMBL4027323 0.88 KMT2A (1.00) POLBHSP90AA1KMT2AMEN1ALDH1A1
SCHEMBL4031545 0.88 POLB (0.81) POLBHSP90AA1KMT2AMEN1ALDH1A1
SCHEMBL4027637 0.88 POLB (0.81) POLBHSP90AA1KMT2AMEN1ALDH1A1
SCHEMBL4027834 0.79 ALDH1A1 (1.00) POLBHSP90AA1KMT2AMEN1ALDH1A1
SCHEMBL10396398 0.79 IP6K1 (1.00) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL25989723 0.77 IP6K1 (1.00) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL14434145 0.77 IP6K1 (0.78) POLBHSP90AA1KMT2AMEN1ALDH1A1
SCHEMBL25990455 0.76 IP6K1 (1.00) POLBHSP90AA1KMT2AMEN1ALDH1A1
SCHEMBL26054580 0.76 ALDH1A1 (0.73) POLBHSP90AA1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399440-B1 5-(2-AMINOPYRIMIDIN-4-YL)BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2009-06-03 EP disclosed
US-20050228005-A1 Protein kinase inhibitors and uses thereof MOON YOUNG C 2005-10-13 US disclosed
US-6825190-B2 4-(1,2- OR 2,1-BENZOXAZOL-5-YL)-2-AMINOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED 2004-11-30 US disclosed
US-20040009996-A1 Protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-01-15 US 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-20040009996-A1 Protein kinase inhibitors and uses thereof GSK3A, GSK3B, JAK3 POLB 4477/4885HSP90AA1 2503/4885KMT2A 2200/4885
US-20050228005-A1 Protein kinase inhibitors and uses thereof GSK3A, JAK3, GSK3B POLB 4593/4885HSP90AA1 3301/4885KMT2A 2441/4885

“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.