SCHEMBL5462866

SCHEMBL5462866

Nc1ncnc(N2CCNCC2)c1N

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.64
▸ GAA P10253 1/20 0.64
▸ HTR2C P28335 6/20 0.53
▸ HTT P42858 2/20 0.50
▸ DRD2 P14416 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL31737655 0.81 HTR2C (0.53) KDM4EGAAHTR2CHTTALDH1A1
Hydrochloric Acid SCHEMBL31737982 0.81 HTR2C (0.49) KDM4EGAAHTR2CHTTALDH1A1
SCHEMBL3889725 0.78 HTR2C (0.47) KDM4EGAAHTR2CHTTDRD2
SCHEMBL10667948 0.78 KDM4E (0.64) KDM4EGAAHTT
Hydrochloric Acid SCHEMBL2799130 0.77 HTR2C (0.46) KDM4EGAAHTR2CHTTDRD2
SCHEMBL14782228 0.74 RPS6KB1 (0.61) —
SCHEMBL30592058 0.73 NEK2 (0.51) KDM4EHTR2CHRH3ALDH1A1
SCHEMBL4987330 0.73 NEK2 (0.51) KDM4EHTR2CHRH3ALDH1A1
SCHEMBL19228214 0.73 RPS6KB1 (0.53) —
SCHEMBL13956850 0.73 FLT3 (0.55) HTR2C

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 4 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
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 — — EP disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 — — WO 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 KDM4E 2167/4885GAA 2543/4885HTR2C 3374/4885

“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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