SCHEMBL21788552

SCHEMBL21788552

Nc1ncnc2c1ncn2Cc1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.76
PI4KA P42356 4/20 0.76
PI4K2B Q8TCG2 4/20 0.76
PI4K2A Q9BTU6 4/20 0.76
PI4KB Q9UBF8 4/20 0.76
NSD2 O96028 1/20 0.65
NSD3 Q9BZ95 1/20 0.65
ADORA1 P30542 4/20 0.58
ADORA2B P29275 1/20 0.55
ALDH1A1 P00352 1/20 0.51
SLC29A1 Q99808 1/20 0.51
AHCY P23526 4/20 0.50

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
SCHEMBL6659204 0.87 ADORA2A (0.74) ADORA2API4KAPI4K2BPI4K2API4KB
9-Benzyl-9H-Adenine SCHEMBL104932 0.86 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22533851 0.84 ADORA2A (0.74) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL18085342 0.83 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30225385 0.83 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL23977384 0.83 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22533785 0.83 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL1422156 0.83 NSD3 (0.70) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL29424732 0.83 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL1980131 0.83 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB

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-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA ADORA2A 3376/4885PI4KA 3055/4885PI4K2B 2649/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA ADORA2A 3376/4885PI4KA 3055/4885PI4K2B 2649/4885

“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.