SCHEMBL19112155

SCHEMBL19112155

CN(Cc1ccccc1)c1ncnc2c1ncn2C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
PI4KA P42356 3/20 0.49
PI4K2B Q8TCG2 3/20 0.49
PI4K2A Q9BTU6 3/20 0.49
PI4KB Q9UBF8 3/20 0.49
ADORA2A P29274 3/20 0.49
ADORA3 P0DMS8 2/20 0.49
ADORA1 P30542 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADORA2B P29275 1/20 0.46
CDK1 P06493 2/20 0.46

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
SCHEMBL15387213 0.83 CYP1A2 (0.50) POLBPI4KAPI4K2BPI4K2API4KB
SCHEMBL13467663 0.79 SLC29A1 (0.49) POLBSMN1; SMN2LMNATP53NPC1
SCHEMBL15387122 0.76 CDK1 (0.57) POLBPI4KAPI4K2BPI4K2API4KB
SCHEMBL3739727 0.75 SLC29A1 (0.54) POLBADORA2AADORA3SMN1; SMN2LMNA
SCHEMBL24197034 0.75 ADORA2A (0.49) PI4KAPI4K2BPI4K2API4KBADORA2A
Hydrochloric Acid SCHEMBL27432781 0.75 ADORA2A (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL20626388 0.75 SLC29A1 (0.76) ADORA2AADORA3ADORA1SMN1; SMN2LMNA
SCHEMBL20626389 0.75 SLC29A1 (0.76) ADORA2AADORA3ADORA1SMN1; SMN2LMNA
SCHEMBL14713425 0.75 SLC29A1 (0.76) ADORA2AADORA3ADORA1SMN1; SMN2LMNA
SCHEMBL7744330 0.75 SLC29A1 (0.76) ADORA2AADORA3ADORA1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 US disclosed
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 US disclosed
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2022-10-18 US disclosed
WO-2021214315-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-10-28 WO disclosed
EP-3901154-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2021-10-27 EP disclosed
EP-2664619-B1 Purine derivatives as tools for screening anti-Alzheimer compounds MANROS THERAPEUTICS (FR) 2017-07-12 EP 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-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES ADORA1, OXGR1, ADORA2A POLB 2861/4885PI4KA 2655/4885PI4K2B 2557/4885
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders TPMT, ADORA2A, PNP POLB 1366/4885PI4KA 3956/4885PI4K2B 4094/4885

“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.