SCHEMBL20413795

SCHEMBL20413795

Cc1cnc2c(c(C)cn2C)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HSP90AA1 P07900 2/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL20413792 0.80 NR3C1 (0.30) HSP90AA1HSP90AB1HPGDHSD17B10
SCHEMBL20413796 0.80 ALDH1A1 (0.33) HSP90AA1HSP90AB1
SCHEMBL18540669 0.77 HTR1A (0.31) —
SCHEMBL17981707 0.75 KMT2A (0.44) SMN1; SMN2
SCHEMBL6935719 0.73 ADK (0.48) —
SCHEMBL17518149 0.72 CDK5 (0.35) L3MBTL1
SCHEMBL18540668 0.72 — —
SCHEMBL14228555 0.72 NR3C1 (0.49) —
SCHEMBL12235955 0.68 CDK5 (0.38) L3MBTL1HTT
SCHEMBL6935760 0.68 ADORA2A (0.33) —

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 AXL 4262/4885PRKCI 1066/4885NPC1 927/4885

“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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