SCHEMBL22732516

SCHEMBL22732516

Cc1nc(-c2ccc(C3(C)CC3)cc2)ncc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 2/20 0.36
▸ WDR48 Q8TAF3 2/20 0.36
▸ PDE2A O00408 2/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ HIPK1 Q86Z02 1/20 0.32
▸ HIPK2 Q9H2X6 1/20 0.32
▸ HIPK3 Q9H422 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL26941926 0.83 CLK1 (0.33) USP1WDR48CLK1CLK2HIPK1
SCHEMBL22732770 0.80 RXRA (0.36) PDE2ACLK1CLK2HIPK1HIPK2
SCHEMBL22745637 0.78 MTOR (0.33) CLK1CLK2HIPK1HIPK2HIPK3
SCHEMBL22712461 0.76 ALDH1A1 (0.56) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12009458 0.76 SMN1; SMN2 (0.45) USP1WDR48NPC1ALDH1A1RAB9A
SCHEMBL24389533 0.75 PDE2A (0.32) PDE2ACLK1CLK2HIPK1HIPK2
SCHEMBL19105636 0.74 NPC1 (0.38) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22732833 0.74 KDM4E (0.35) PDE2AKDM4ENPC1ALDH1A1RAB9A
SCHEMBL22275384 0.74 NPC1 (0.45) USP1WDR48NPC1ALDH1A1RAB9A
SCHEMBL22275370 0.73 USP1 (0.38) USP1WDR48KDM4ENPC1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289480-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-12-13 — — EP disclosed
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US AND US TERRITORIES) 2022-05-05 — — US disclosed
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
WO-2020243155-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US) 2020-12-03 — — 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 (3 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 USP1 160/4885WDR48 2588/4885PDE2A 2960/4885
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD USP1 160/4885WDR48 2588/4885PDE2A 2960/4885
US-11208387-B2 Macrocyclic broad spectrum antibiotics MRPL21, CLPP, PEPD USP1 160/4885WDR48 2588/4885PDE2A 2960/4885

“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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