SCHEMBL20413285

SCHEMBL20413285

CCCC[C@@H](CO)Nc1nc(C)ncc1OCc1cn2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TLR8 Q9NR97 5/20 0.39
▸ TLR7 Q9NYK1 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ MAPK10 P53779 1/20 0.35

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
SCHEMBL20413287 0.95 KDM4E (0.42) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL20413281 0.94 NPC1 (0.40) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL15470210 0.90 TLR8 (0.47) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL20413282 0.88 KDM4E (0.41) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL20219493 0.88 SMN1; SMN2 (0.40) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL15470199 0.85 TLR8 (0.44) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL15470181 0.84 KCNH2 (0.48) KDM4ENPC1RAB9ASMN1; SMN2TLR8
SCHEMBL23472299 0.84 NPC1 (0.44) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL20219589 0.84 SMN1; SMN2 (0.40) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL23472680 0.82 KDM4E (0.40) KDM4ENPC1RAB9AMAPTLMNA

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-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 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-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 KDM4E 1994/4885NPC1 1081/4885RAB9A 2914/4885

“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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