SCHEMBL20413796

SCHEMBL20413796

Cc1cnc2c(c(C=O)cn2C)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ BRD4 O60885 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
SCHEMBL20413795 0.80 AXL (0.33) HSP90AA1HSP90AB1
SCHEMBL17981692 0.76 KDM4E (0.41) ALDH1A1
SCHEMBL20413792 0.72 NR3C1 (0.30) ALDH1A1HSP90AA1HSP90AB1
SCHEMBL20413788 0.69 ALDH1A1 (0.42) ALDH1A1IMPDH2BRD4
SCHEMBL20413793 0.69 — —
SCHEMBL9844902 0.68 ADORA2A (0.42) —
SCHEMBL3225335 0.68 ALDH1A1 (0.38) ALDH1A1IMPDH2
SCHEMBL23725218 0.67 ALDH1A1 (0.40) ALDH1A1IMPDH2
SCHEMBL8108894 0.67 PIK3CA (0.42) ALDH1A1IMPDH2HSP90AA1
SCHEMBL14228555 0.65 NR3C1 (0.49) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 — — 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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 ALDH1A1 3369/4885IMPDH2 2517/4885CYP1A2 2328/4885

“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.

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