SCHEMBL1785253

SCHEMBL1785253

CC(C)c1ncc(N)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TKT P29401 1/20 0.39
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
UHRF1 Q96T88 1/20 0.32
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
DHFR P00374 1/20 0.30
APLNR P35414 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
SCHEMBL1693279 0.83 APLNR (0.32) POLBUHRF1APLNR
SCHEMBL2625494 0.80 TKT (0.41) POLBTKTADORA2AADORA1UHRF1
SCHEMBL17297734 0.80 POLB (0.33) POLBTKTUHRF1
SCHEMBL29333345 0.80 UHRF1 (0.35) POLBTKTUHRF1APLNR
SCHEMBL10996190 0.78 TKT (0.35) POLBTKTADORA2AUHRF1DHFR
SCHEMBL5779559 0.78 POLB (0.33) POLBTKTUHRF1
SCHEMBL25910815 0.78 POLB (0.38) POLBTKTADORA2AADORA1P2RX3
SCHEMBL5800504 0.78 POLB (0.33) POLBTKTUHRF1
SCHEMBL25911401 0.77 POLB (0.40) POLBTKTADORA2AADORA1P2RX3
SCHEMBL30068102 0.75 P2RX3 (0.50) P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073587-A1 N-ACRYLOYLMORPHOLINE DERIVATIVES AS KEAP1 MODULATORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
CN-114573586-A Polycyclic compound for inhibiting Bruton's tyrosine kinase activity, pharmaceutical composition and application thereof 杭州和正医药有限公司 2022-06-03 CN disclosed
EP-3941919-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES Genentech, Inc. (US) 2022-01-26 EP disclosed
CN-113508115-A Pyridopyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme I (IRE I A) for the treatment of cancer diseases 基因泰克公司 2021-10-15 CN disclosed
WO-2020142612-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH, INC. (US) 2020-07-09 WO disclosed
CN-110357885-A A kind of pteridine compounds and its application pharmaceutically 江南大学 2019-10-22 CN disclosed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2011-03-10 US disclosed
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2011-03-10 US disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 US disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 POLB 1145/4885TKT 1837/4885ADORA2A 3906/4885
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF POLB 1446/4885TKT 669/4885ADORA2A 784/4885

“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.