SCHEMBL22004714

SCHEMBL22004714

c1cc2ncc(C3CCCNC3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.42
▸ TNKS O95271 1/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HPGDS O60760 1/20 0.39

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
SCHEMBL22005007 0.76 HRH3 (0.46) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8609411 0.73 TNKS (0.41) TNKS
SCHEMBL8609416 0.71 TNKS (0.38) TNKS
SCHEMBL22004995 0.71 CDK9 (0.41) DRD2DRD3CYP2D6SLC6A2SLC6A4
SCHEMBL22609013 0.71 CHRNB2 (0.48) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22004977 0.69 JAK2 (0.42) JAK2JAK1JAK3
SCHEMBL20037854 0.68 CYP2D6 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2094060 0.68 — —
SCHEMBL31401487 0.68 CYP2D6 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL18291382 0.68 CYP2D6 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2

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-20200157092-A1 [1,2,4]-TRIAZOLO [1,5-A]-PYRIMIDINYL DERIVATIVES SUBSTITUTED WITH PIPERIDINE, MORPHOLINE OR PIPERAZINE AS OGA INHIBITORS Janssen Pharmaceutlca NV (BE) 2020-05-21 — — 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-20200157092-A1 [1,2,4]-TRIAZOLO [1,5-A]-PYRIMIDINYL DERIVATIVES SUBSTITUTED WITH PIPERIDINE, MORPHOLINE OR PIPERAZINE AS OGA INHIBITORS OGA, PSEN1, PSEN2 PRMT5 359/4885TNKS 421/4885DRD2 3935/4885

“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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