SCHEMBL13040786

SCHEMBL13040786

CC(C)(C)C(=O)Nc1nc(O)c2ccc(-c3ccccc3)nc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.61
POLB P06746 2/20 0.49
TOP2A P11388 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
ALDH1A1 P00352 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NLRP3 Q96P20 1/20 0.38

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
SCHEMBL13040784 0.86 ADORA1 (0.60) ADORA1POLBTOP2ANPC1RAB9A
SCHEMBL3735361 0.83 PTPN1 (0.45) ADORA1POLBTOP2ANPC1RAB9A
SCHEMBL3745246 0.82 PTPN1 (0.48) ADORA1POLBTOP2AMEN1KMT2A
SCHEMBL6507291 0.77 ADORA1 (1.00) ADORA1POLBMEN1KMT2AADORA3
SCHEMBL22476350 0.75 ADORA1 (0.58) ADORA1POLBTOP2ANPC1RAB9A
SCHEMBL3742505 0.71 MEN1 (0.49) ADORA1POLBMEN1KMT2ATP53
SCHEMBL13040787 0.69 NLRP3 (0.57) ADORA1POLBNPC1RAB9AMEN1
SCHEMBL3728733 0.69 PTPN1 (0.47) ADORA1POLBMEN1KMT2AADORA3
SCHEMBL3801893 0.68 ADORA1 (0.44) ADORA1POLBNPC1RAB9AMEN1
SCHEMBL9381140 0.68 ADORA1 (0.42) ADORA1POLBTOP2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 US disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 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-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP ADORA1 2395/4885POLB 2670/4885TOP2A 2570/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP ADORA1 2395/4885POLB 2670/4885TOP2A 2570/4885

“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.