SCHEMBL9973869

SCHEMBL9973869

O=Nc1cnc2[nH]ncc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.37
XDH P47989 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ADORA2A P29274 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CA P42336 2/20 0.34
BRAF P15056 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MAOB P27338 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL13260498 0.72 BRD4 (0.44) LMNAADORA2ASMN1; SMN2PIK3CGABL1
SCHEMBL6314346 0.71 MAPT (0.53) RAB9AMAOBMAPK1ROCK2ROCK1
SCHEMBL12344590 0.70 PIK3C3 (0.37) PIK3C3XDHLMNATSHRADORA2A
SCHEMBL13260491 0.68 DAO (0.42) LMNATSHRBLMSMN1; SMN2ABL1
SCHEMBL3429629 0.68 PIK3C3 (0.36) PIK3C3XDHLMNATSHRADORA2A
SCHEMBL1496196 0.68 MAPT (0.50) PIK3C3XDHRAB9APIK3CABRAF
SCHEMBL10329 0.68 DYRK1A (0.50) PIK3C3LMNASMN1; SMN2MKNK1ABL1
SCHEMBL20674185 0.68 FGFR1 (0.40) PIK3C3XDHPIK3CABRAFAKT1
SCHEMBL29705478 0.68 MAPT (0.50) PIK3C3XDHRAB9APIK3CABRAF
SCHEMBL11982852 0.68 PIK3C3 (0.36) PIK3C3XDHLMNATSHRADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2023-01-26 US disclosed
US-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 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 (3 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-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE BRAF, RAF1, ARAF PIK3C3 288/4885XDH 501/4885LMNA 1698/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF PIK3C3 91/4885XDH 376/4885LMNA 1855/4885
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DPYD, TYMP, TYMS PIK3C3 1384/4885XDH 46/4885LMNA 2838/4885

“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.