SCHEMBL5469792

SCHEMBL5469792

CC(=O)N1CCN(c2cc(N)nc(N)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.64
HRH3 Q9Y5N1 1/20 0.64
GBA1 P04062 1/20 0.52
NCF1 P14598 1/20 0.52
MAP4K4 O95819 1/20 0.48
CASP6 P55212 1/20 0.47
GFER P55789 1/20 0.47
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44

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
SCHEMBL10396809 0.81 HRH4 (0.56) HRH4HRH3SMN1; SMN2
SCHEMBL23330166 0.81 NCF1 (0.52) HRH4HRH3GBA1NCF1MAP4K4
SCHEMBL7774440 0.80 HRH4 (0.55) HRH4HRH3MAP4K4CKS1BSKP1
Hydrochloric Acid SCHEMBL10396594 0.80 HRH4 (0.55) HRH4HRH3SMN1; SMN2
SCHEMBL30488018 0.78 HRH4 (1.00) HRH4HRH3
SCHEMBL2169898 0.78 HRH4 (1.00) HRH4HRH3
SCHEMBL5889086 0.78 MAP4K4 (0.54) GBA1NCF1MAP4K4CASP6GFER
SCHEMBL10678810 0.76 HRH4 (0.70) HRH4HRH3CRHBPCRHR2SMN1; SMN2
SCHEMBL30296862 0.76 HRH4 (0.70) HRH4HRH3CRHBPCRHR2SMN1; SMN2
SCHEMBL25897198 0.76 HRH4 (0.45) HRH4GBA1NCF1MAP4K4CASP6

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
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 EP disclosed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF HRH4 294/4885HRH3 631/4885GBA1 3862/4885

“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.