SCHEMBL3445624

SCHEMBL3445624

OC[C@H](Nc1nc(Cl)nc2nn[nH]c12)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CX3CR1 P49238 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
AURKA O14965 2/20 0.35
RPS6KB1 P23443 2/20 0.35

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
SCHEMBL3445625 1.00 EGFR (0.39) EGFRLMNAHPGDSMN1; SMN2CCNC
SCHEMBL3445621 0.81 EGFR (0.40) EGFRLMNAHPGDSMN1; SMN2CCNC
SCHEMBL7148662 0.81 XDH (0.50) EGFRLMNASMN1; SMN2
SCHEMBL6016640 0.81 XDH (0.50) EGFRLMNASMN1; SMN2
SCHEMBL3445318 0.80 CDK5 (0.39) EGFRLMNAHPGDSMN1; SMN2CCNC
SCHEMBL3445577 0.80 CDK5 (0.39) EGFRLMNAHPGDSMN1; SMN2CCNC
SCHEMBL6204828 0.78 CYP2D6 (0.40) HPGDAURKARPS6KB1
SCHEMBL6203858 0.77 LMNA (0.35) EGFRLMNAHPGDSMN1; SMN2CCNC
SCHEMBL3444344 0.73 PDE5A (0.54) LMNAHPGDSMN1; SMN2
SCHEMBL6016639 0.72 EGFR (0.42) EGFRLMNAHPGDSMN1; SMN2CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816350-B2 Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2010-10-19 US claimed
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2006-02-16 US claimed
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP claimed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO claimed
US-7816350-B2 Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2010-10-19 US disclosed
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP disclosed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO 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 (1 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-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout CDK8, CDK6, CDK1 EGFR 956/4885LMNA 3668/4885HPGD 3547/4885

“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.