SCHEMBL23911850

SCHEMBL23911850

c1ccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.81
SYK P43405 11/20 0.72
CD63 P08962 2/20 0.72
JAK2 O60674 2/20 0.68
NTRK1 P04629 2/20 0.68
ROS1 P08922 1/20 0.68
CSNK2A2 P19784 1/20 0.68
FLT3 P36888 1/20 0.68
CSNK2B P67870 1/20 0.68
CSNK2A1 P68400 1/20 0.68
BTK Q06187 1/20 0.68
PTK6 Q13882 1/20 0.68
CSNK2A3 Q8NEV1 1/20 0.68
ABL1 P00519 1/20 0.57
YES1 P07947 1/20 0.57
KDR P35968 1/20 0.57
AURKC Q9UQB9 1/20 0.56

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
SCHEMBL2482275 0.95 AURKA (0.79) AURKASYKCD63JAK2NTRK1
SCHEMBL2482747 0.91 AURKA (0.77) AURKASYKCD63JAK2NTRK1
SCHEMBL24864097 0.89 SYK (0.79) AURKASYKCD63JAK2NTRK1
SCHEMBL21471537 0.88 AURKA (0.73) AURKASYKCD63JAK2NTRK1
SCHEMBL12017958 0.87 AURKA (0.72) AURKASYKCD63JAK2NTRK1
SCHEMBL2481193 0.85 AURKA (0.67) AURKASYKCD63JAK2NTRK1
SCHEMBL2481450 0.85 AURKA (0.69) AURKASYKCD63JAK2NTRK1
SCHEMBL2479537 0.85 AURKA (0.72) AURKASYKCD63JAK2NTRK1
SCHEMBL2476114 0.85 SYK (0.70) AURKASYKCD63JAK2NTRK1
SCHEMBL24179231 0.84 AURKA (0.65) AURKASYKCD63JAK2NTRK1

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.