SCHEMBL417065

SCHEMBL417065

N#Cc1ccc(CN2CCC(c3nccs3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.47
JAK1 P23458 3/20 0.47
JAK3 P52333 3/20 0.47
TYK2 P29597 2/20 0.47
HRH3 Q9Y5N1 2/20 0.45
PRKAA2 P54646 2/20 0.45
USP2 O75604 1/20 0.43
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
THRB P10828 1/20 0.41
DRD4 P21917 2/20 0.41
CYP19A1 P11511 1/20 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
SCHEMBL28113739 0.78 HRH3 (0.51) JAK2JAK1JAK3TYK2HRH3
SCHEMBL13407392 0.75 DRD4 (0.49) HRH3MEN1KMT2ADRD4
SCHEMBL4956150 0.74 PRKAA2 (0.52) PRKAA2ACHEMEN1KMT2ATHRB
SCHEMBL20804360 0.72 KCNJ1 (0.66) HRH3USP2MEN1KMT2ACYP19A1
SCHEMBL28024576 0.72 KCNJ1 (0.66) HRH3USP2MEN1KMT2ACYP19A1
SCHEMBL647375 0.72 HRH3 (0.57) HRH3PRKAA2USP2ACHEMEN1
SCHEMBL70021 0.72 HRH3 (0.56) HRH3PRKAA2USP2MEN1KMT2A
SCHEMBL14375216 0.72 HRH3 (0.67) HRH3PRKAA2USP2ACHEMEN1
Hydrochloric Acid SCHEMBL62646 0.71 HRH3 (0.55) HRH3PRKAA2USP2MEN1KMT2A
SCHEMBL7238995 0.70 HRH3 (0.65) HRH3ACHEMEN1KMT2AOPRM1

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-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB JAK2 1633/4885JAK1 3282/4885JAK3 2393/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB JAK2 1633/4885JAK1 3282/4885JAK3 2393/4885

“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.