SCHEMBL2760302

SCHEMBL2760302

Cc1cn2nc([C@@H]3CCCCN3)cc2nc1N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
IKBKB O14920 1/20 0.30
CHRM3 P20309 3/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL17827753 1.00 NPY5R (0.33) NPY5RKDM4EALDH1A1HPGDRECQL
SCHEMBL19730744 0.88 JAK3 (0.31)
SCHEMBL252604 0.88 CHRM3 (0.32) IKBKBCHRM3PDE4APDE4BPDE4C
SCHEMBL252605 0.88 CHRM3 (0.32) IKBKBCHRM3PDE4APDE4BPDE4C
SCHEMBL21279532 0.87 PIM1 (0.34) KDM4E
SCHEMBL19099851 0.87 AKT1 (0.36)
SCHEMBL2738060 0.85 IKBKB (0.32) IKBKBCHRM3PDE4APDE4BPDE4C
SCHEMBL2760299 0.85 IKBKB (0.32) IKBKBCHRM3PDE4APDE4BPDE4C
SCHEMBL19725720 0.84 IKBKB (0.35) KDM4EALDH1A1HSD17B10IKBKBCHRM3
SCHEMBL15053137 0.82 SMPD3 (0.38) EHMT2EHMT1

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
EP-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 EP disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 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 (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-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS NPY5R 2481/4885KDM4E 2069/4885ALDH1A1 1823/4885

“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.