SCHEMBL30009060

SCHEMBL30009060

N#CCCN1CC=C(c2ccnc3[nH]ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.59
HTR1A P08908 4/20 0.49
SLC6A4 P31645 4/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
JAK2 O60674 8/20 0.43
JAK3 P52333 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
TYK2 P29597 2/20 0.41

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
SCHEMBL30009358 0.89 JAK1 (0.58) JAK1HTR1ASLC6A4ADRA1DADRA1A
SCHEMBL27819451 0.80 HTR1A (0.46) JAK1HTR1ASLC6A4ADRA1DADRA1A
SCHEMBL18852707 0.78 CDK9 (0.46) JAK1HTR1ASLC6A4ADRA1DADRA1A
SCHEMBL14493885 0.78 JAK1 (0.57) JAK1JAK2JAK3TYK2
SCHEMBL30356127 0.75 JAK1 (1.00) JAK1
SCHEMBL20923480 0.75 JAK1 (1.00) JAK1
SCHEMBL30009608 0.73 JAK1 (0.59) JAK1JAK2JAK3TYK2
SCHEMBL14493878 0.71 CCNT1 (0.50) JAK1JAK3AURKB
SCHEMBL30009237 0.70 JAK1 (0.52) JAK1JAK2JAK3TYK2
SCHEMBL30009512 0.70 AURKB (0.50) JAK1JAK2JAK3AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 US claimed

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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor MAP3K20, MAP3K15, MAP3K1 JAK1 83/4885HTR1A 4172/4885SLC6A4 3026/4885

“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.