SCHEMBL23911841

SCHEMBL23911841

O=C(NO)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.70
SYK P43405 15/20 0.63
CD63 P08962 2/20 0.63
BTK Q06187 2/20 0.62
JAK2 O60674 1/20 0.62
NTRK1 P04629 1/20 0.62
ROS1 P08922 1/20 0.62
CSNK2A2 P19784 1/20 0.62
FLT3 P36888 1/20 0.62
CSNK2B P67870 1/20 0.62
CSNK2A1 P68400 1/20 0.62
PTK6 Q13882 1/20 0.62
CSNK2A3 Q8NEV1 1/20 0.62
PIK3R1 P27986 1/20 0.52
PIK3CA P42336 1/20 0.52

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
SCHEMBL3795040 0.95 AURKA (0.64) AURKASYKCD63BTKJAK2
SCHEMBL21471537 0.91 AURKA (0.73) AURKASYKCD63BTKJAK2
SCHEMBL21471538 0.90 AURKA (0.66) AURKASYKCD63BTKJAK2
SCHEMBL21471531 0.90 AURKA (0.66) AURKASYKCD63BTKJAK2
SCHEMBL4336940 0.89 SYK (0.68) AURKASYKCD63BTKJAK2
SCHEMBL21471585 0.88 AURKA (0.63) AURKASYKCD63BTKJAK2
SCHEMBL23911842 0.88 AURKA (0.63) AURKASYKCD63BTKJAK2
SCHEMBL2482747 0.87 AURKA (0.77) AURKASYKCD63BTKJAK2
SCHEMBL21471588 0.87 AURKA (0.58) AURKASYKCD63BTKJAK2
SCHEMBL3797337 0.86 AURKA (0.61) AURKASYKCD63BTKJAK2

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-20220002318-A1 HETEROCYCLIC COMPOUND AS SYK INHIBITOR AND/OR SYK-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2022-01-06 US disclosed
US-11142535-B2 Heterocyclic compound as Syk inhibitor and/or Syk-HDAC dual inhibitor HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2021-10-12 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-11142535-B2 Heterocyclic compound as Syk inhibitor and/or Syk-HDAC dual inhibitor SYK, HDAC1, HDAC2 AURKA 585/4885SYK 1/4885CD63 3229/4885
US-20220002318-A1 HETEROCYCLIC COMPOUND AS SYK INHIBITOR AND/OR SYK-HDAC DUAL INHIBITOR SYK, HDAC1, HDAC2 AURKA 585/4885SYK 1/4885CD63 3229/4885

“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.