SCHEMBL13040784

SCHEMBL13040784

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.60
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA3 P0DMS8 8/20 0.43
ADORA2A P29274 6/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDGFRB P09619 1/20 0.40
TOP2A P11388 1/20 0.40
ADORA2B P29275 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
SCHEMBL13040786 0.86 ADORA1 (0.61) ADORA1POLBMEN1KMT2AADORA3
SCHEMBL3742505 0.84 MEN1 (0.49) ADORA1POLBMEN1KMT2AADORA3
SCHEMBL3728733 0.82 PTPN1 (0.47) ADORA1POLBMEN1KMT2AADORA3
SCHEMBL3734485 0.77 PTPN1 (0.50) ADORA1MEN1KMT2AADORA3ADORA2A
SCHEMBL6507291 0.76 ADORA1 (1.00) ADORA1POLBMEN1KMT2AADORA3
SCHEMBL22476359 0.76 ADORA1 (0.56) ADORA1POLBMEN1KMT2AADORA2A
SCHEMBL20256401 0.71 MEN1 (0.50) ADORA1MEN1KMT2AADORA2ALMNA
SCHEMBL29506378 0.71 MEN1 (0.50) ADORA1MEN1KMT2AADORA2ALMNA
SCHEMBL3735361 0.71 PTPN1 (0.45) ADORA1POLBMEN1KMT2AADORA2A
SCHEMBL3745246 0.69 PTPN1 (0.48) ADORA1POLBMEN1KMT2ATOP2A

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 2670/4885MEN1 4804/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP ADORA1 2395/4885POLB 2670/4885MEN1 4804/4885

“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.