SCHEMBL20418730

SCHEMBL20418730

CCC[C@H](CCO)Nc1nc(N)ncc1OCCOC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ KCNH2 Q12809 10/20 0.49
▸ TLR7 Q9NYK1 6/20 0.47
▸ TLR8 Q9NR97 5/20 0.47

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
SCHEMBL15470329 1.00 CYP2D6 (0.49) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL20418789 0.93 TLR7 (0.56) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL15470325 0.93 TLR7 (0.56) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL23472457 0.92 TLR7 (0.49) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL15470156 0.92 TLR7 (0.49) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL19269129 0.92 KCNH2 (0.52) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL23472215 0.89 TLR8 (0.38) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL20219377 0.89 TLR8 (0.38) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL15470397 0.89 KCNH2 (0.47) CYP2D6DRD1HTR2AADORA1KCNH2
SCHEMBL20219409 0.89 KCNH2 (0.47) CYP2D6DRD1HTR2AADORA1KCNH2

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-10420767-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-09-24 — — US disclosed
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 (2 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-10420767-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 CYP2D6 361/4885DRD1 3745/4885HTR2A 3972/4885
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 CYP2D6 361/4885DRD1 3745/4885HTR2A 3972/4885

“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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