SCHEMBL18702196

SCHEMBL18702196

CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccnc3)o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.49
PDK2 Q15119 1/20 0.47
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
REV1 Q9UBZ9 1/20 0.45
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
BCHE P06276 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
GBA1 P04062 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL18711783 0.87 SPR (0.51) SPRACHEBACE1BCHENPC1
SCHEMBL18702194 0.83 SPR (0.50) SPRPDK2CKS1BSKP1SKP2
SCHEMBL18701977 0.81 SPR (0.49) SPRCKS1BSKP1SKP2ACHE
SCHEMBL18702047 0.80 RAB9A (0.59) SPRPDK2ACHEBACE1BCHE
SCHEMBL18702045 0.77 CNR2 (0.49) SPRPDK2ACHEBACE1BCHE
SCHEMBL18701975 0.76 MAPT (0.47) PDK2CKS1BSKP1SKP2ACHE
SCHEMBL18997473 0.75 GPR119 (0.55) PDK2CKS1BSKP1SKP2REV1
SCHEMBL18702027 0.73 MAPT (0.57) SPRPDK2CKS1BSKP1SKP2
SCHEMBL18702034 0.73 SPR (0.52) SPRACHEBACE1BCHENPC1
SCHEMBL18711950 0.73 SPR (0.47) SPRPDK2CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR SPR 1/4885PDK2 1524/4885CKS1B 3157/4885

“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.