SCHEMBL22333151

SCHEMBL22333151

Cc1c(Cl)ccnc1C=O

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
ALDH1A1 P00352 6/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
NFE2L2 Q16236 5/20 0.32
AXL P30530 1/20 0.31
PRKCI P41743 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL4201172 0.81 PDXK (0.33) ALDH1A1AXLPRKCINOS3NOS2
SCHEMBL5303261 0.78 ALDH1A1 (0.34) DAOCCR1CCR5CCR8ALDH1A1
SCHEMBL2085241 0.78 NOS2 (0.46) CCR1CCR5CCR8ALDH1A1NOS3
SCHEMBL5212066 0.77 ALDH1A1 (0.48) DAOCCR1CCR5CCR8ALDH1A1
SCHEMBL31711446 0.75 CCR1 (0.36) DAOCCR1CCR5CCR8ALDH1A1
SCHEMBL20767182 0.75 CCR1 (0.35) CCR1CCR5CCR8ALDH1A1NOS3
SCHEMBL14691566 0.75 NFE2L2 (0.35) DAOCCR1CCR5CCR8ALDH1A1
SCHEMBL3719916 0.75 TRIM24 (0.35) DAOCCR1CCR5CCR8ALDH1A1
SCHEMBL29544937 0.75 NFE2L2 (0.35) DAOCCR1CCR5CCR8ALDH1A1
SCHEMBL28281345 0.75 CCR1 (0.32) CCR1CCR5CCR8ALDH1A1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705293-A1 SPIRO-HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2026-03-11 EP disclosed
EP-4598916-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2025-08-13 EP disclosed
WO-2024229317-A1 SPIRO-HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-11-07 WO disclosed
WO-2024076672-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210363139-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-11-25 US disclosed
US-10988465-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
US-20200255414-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2020-08-13 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 (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-20200255414-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 DAO 4079/4885CCR1 15/4885CCR5 6/4885
US-20210363139-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 DAO 4079/4885CCR1 15/4885CCR5 6/4885
US-10988465-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 DAO 4079/4885CCR1 15/4885CCR5 6/4885

“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.