SCHEMBL3774808

SCHEMBL3774808

CC(C)(C)OC(=O)N1CC(Nc2ccnc(N)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
ACHE P22303 2/20 0.45
NUDT1 P36639 3/20 0.43
EHMT2 Q96KQ7 1/20 0.42
USP30 Q70CQ3 3/20 0.41
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
SYK P43405 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL3778815 0.91 DDB1 (0.49) HRH3DDB1CRBNACHEUSP30
SCHEMBL3778811 0.91 DDB1 (0.49) HRH3DDB1CRBNACHEUSP30
SCHEMBL3789071 0.88 ALDH1A1 (0.54) HRH3DDB1CRBNACHEMAP4K4
SCHEMBL27227503 0.83 GPR119 (0.56) DDB1CRBNACHEEHMT2USP30
SCHEMBL30585858 0.80 NOS2 (0.54) ACHEUSP30
SCHEMBL18497654 0.80 NOS2 (0.54) ACHEUSP30
SCHEMBL3775852 0.80 HSP90AA1 (0.47) DDB1CRBNEHMT2PIM1PIM2
SCHEMBL28811197 0.79 USP30 (0.46) ACHEEHMT2USP30SYK
SCHEMBL17560179 0.78 NOS1 (0.44) ACHEEHMT2USP30SYK
SCHEMBL16834211 0.78 EHMT2 (0.43) DDB1CRBNACHEEHMT2USP30

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
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 HRH3 3/4885DDB1 4287/4885CRBN 3889/4885

“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.