SCHEMBL26912618

SCHEMBL26912618

Clc1c(Br)ccc2c(-c3cn[nH]c3)c[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ TPX2 Q9ULW0 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ AR P10275 1/20 0.34
▸ CHEK1 O14757 3/20 0.34
▸ CHUK O15111 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ CDC42BPB Q9Y5S2 2/20 0.33

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
SCHEMBL26912973 0.85 CSNK2A2 (0.41) AURKAAURKBINCENPTPX2MAPK8
SCHEMBL26912416 0.73 AURKA (0.36) AURKAAURKBINCENPTPX2MAPK8
SCHEMBL26912582 0.71 CSNK2A2 (0.33) ARCLK1CDK5CDK5R1DYRK1A
SCHEMBL26698252 0.70 IMPDH2 (0.63) AURKAAURKBINCENPTPX2MAPK8
SCHEMBL30771213 0.69 HTT (0.45) PIM1AKT1AKT2ARROCK2
SCHEMBL27729491 0.68 HTR1A (0.52) PIM1PIM3PIM2CHUKCLK1
SCHEMBL20355101 0.67 CSNK2A2 (0.33) AR
SCHEMBL16474984 0.67 AURKA (0.50) AURKAAURKBINCENPTPX2MAPK8
SCHEMBL21179033 0.66 CCNT1 (0.43) CLK1CDK5CDK5R1
SCHEMBL29735061 0.66 ROCK2 (0.40) MAPK8MAPK9MAPK10ROCK2ROCK1

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
WO-2023235809-A1 CGAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-12-07 — — WO disclosed
US-20230391786-A1 cGAS INHIBITORS ELI LILLY AND COMPANY 2023-12-07 — — 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-20230391786-A1 cGAS INHIBITORS CGAS, STING1, TBK1 AURKA 2311/4885AURKB 607/4885INCENP 4147/4885

“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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