SCHEMBL22745756

SCHEMBL22745756

CCc1c(C)nc(-c2ccc(C3(C)CC3)cc2)nc1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.37
▸ NR4A2 P43354 4/20 0.37
▸ PDE4B Q07343 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ GAA P10253 1/20 0.32
▸ CLK1 P49759 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ HIPK1 Q86Z02 1/20 0.31
▸ HIPK2 Q9H2X6 1/20 0.31
▸ HIPK3 Q9H422 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22732770 0.77 RXRA (0.36) RXRANR4A2CLK1CLK2HIPK1
SCHEMBL22712525 0.76 KDM4E (0.54) GAALMNAKDM4ENPC1ALDH1A1
SCHEMBL24389533 0.75 PDE2A (0.32) RXRANR4A2CLK1CLK2HIPK1
SCHEMBL22712492 0.75 KDM4E (0.42) PDE4BPDE4DLMNAKDM4ENPC1
SCHEMBL26941926 0.74 CLK1 (0.33) CLK1CLK2HIPK1HIPK2HIPK3
SCHEMBL26938200 0.74 KDM4E (0.49) GAALMNAKDM4ENPC1ALDH1A1
SCHEMBL14790160 0.73 GABRA5 (0.40) ALDH1A1
SCHEMBL22732833 0.72 KDM4E (0.35) RXRANR4A2KDM4ENPC1ALDH1A1
SCHEMBL23605226 0.71 RXRA (0.40) RXRANR4A2PDE4BPDE4DGAA
SCHEMBL29365189 0.71 KDM4E (0.68) GAALMNAKDM4ENPC1ALDH1A1

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-11208387-B2 Macrocyclic broad spectrum antibiotics GENENTECH, INC. (US) 2021-12-28 — — US disclosed
US-20200377463-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. 2020-12-03 — — 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-20200377463-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD RXRA 2669/4885NR4A2 3206/4885PDE4B 3003/4885
US-11208387-B2 Macrocyclic broad spectrum antibiotics MRPL21, CLPP, PEPD RXRA 2669/4885NR4A2 3206/4885PDE4B 3003/4885

“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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