SCHEMBL20413616

SCHEMBL20413616

Cc1ccc(NC(=O)c2cnc3c(c2)c(C)nn3C)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.59
NR3C1 P04150 9/20 0.58
CCR2 P41597 1/20 0.58
CCR5 P51681 1/20 0.58
POLB P06746 1/20 0.54
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
P4HTM Q9NXG6 1/20 0.49
NPC1 O15118 1/20 0.48
RPS6KA2 Q15349 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL17980518 0.90 NR3C1 (0.71) SPRNR3C1CCR2CCR5POLB
SCHEMBL17980531 0.88 NR3C1 (0.57) SPRNR3C1CCR2CCR5POLB
SCHEMBL17980879 0.87 CCR2 (0.63) SPRNR3C1CCR2CCR5POLB
SCHEMBL7079541 0.82 CCR2 (0.68) SPRNR3C1CCR2CCR5POLB
SCHEMBL8574855 0.81 SPR (0.61) SPRNR3C1CCR2CCR5POLB
SCHEMBL20413598 0.80 RAB9A (0.53) NR3C1POLBRAB9ASMN1; SMN2P4HTM
SCHEMBL20413596 0.78 NR3C1 (0.57) SPRNR3C1RAB9ASMN1; SMN2
SCHEMBL5961458 0.78 CCR2 (0.68) SPRNR3C1CCR2CCR5POLB
SCHEMBL5070874 0.77 SPR (0.61) SPRNR3C1CCR2CCR5POLB
SCHEMBL5069154 0.76 SPR (0.52) SPRNR3C1CCR2CCR5POLB

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 SPR 2583/4885NR3C1 1/4885CCR2 2235/4885

“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.