SCHEMBL2760299

SCHEMBL2760299

Cc1cn2nc([C@@H]3CCCCN3)cc2nc1N1CCC(C#N)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.32
CHRM3 P20309 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
TTK P33981 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
SCHEMBL2738060 1.00 IKBKB (0.32) IKBKBCHRM3PDE4APDE4BPDE4C
SCHEMBL19730744 0.86 JAK3 (0.31)
SCHEMBL21279532 0.85 PIM1 (0.34)
SCHEMBL19099851 0.85 AKT1 (0.36)
SCHEMBL17827753 0.85 NPY5R (0.33) IKBKBCHRM3PDE4APDE4BPDE4C
SCHEMBL2760302 0.85 NPY5R (0.33) IKBKBCHRM3PDE4APDE4BPDE4C
SCHEMBL16807828 0.84 IKBKB (0.32) IKBKB
SCHEMBL15053048 0.83 IKBKB (0.33) IKBKB
SCHEMBL15053050 0.83 IKBKB (0.33) IKBKB
SCHEMBL19447658 0.83 IKBKB (0.33) IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US 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 (3 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-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS IKBKB 2799/4885CHRM3 4029/4885PDE4A 1230/4885
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS IKBKB 2799/4885CHRM3 4029/4885PDE4A 1230/4885
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS IKBKB 2799/4885CHRM3 4029/4885PDE4A 1230/4885

“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.