SCHEMBL21096552

SCHEMBL21096552

COc1cc(CNc2nc(-n3cc(C(C)C)c4cnc(Br)cc43)c3sccc3n2)cc(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
ADORA2A P29274 7/20 0.36
ACVR1 Q04771 1/20 0.36
ADORA2B P29275 6/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 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
SCHEMBL21096682 0.85 ADORA2A (0.36) CYP1A2CYP2C9CYP2C19ADORA2AACVR1
SCHEMBL21096805 0.84 ACVR1 (0.40) CYP1A2CYP2C9CYP2C19ADORA2AACVR1
SCHEMBL21096561 0.77 ADORA2A (0.34) ADORA2AADORA2B
SCHEMBL21096545 0.77 ADORA2A (0.34) ADORA2AADORA2B
SCHEMBL21096553 0.71 GAA (0.39) CYP1A2CYP2C9CYP2C19ADORA2AADORA2B
SCHEMBL21096555 0.69 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19ADORA2AACVR1
SCHEMBL21096789 0.68 ADORA2B (0.35) CYP1A2CYP2C9CYP2C19ADORA2AACVR1
SCHEMBL21096674 0.64 ADORA2A (0.30) ADORA2A
SCHEMBL21096675 0.64 TUBB4A (0.34) ADORA2A
SCHEMBL30748212 0.62 ACVR1 (0.59) ACVR1

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-10323045-B2 Thienopyrimidine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 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-10323045-B2 Thienopyrimidine derivatives as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 CYP1A2 2524/4885CYP2C9 3026/4885CYP2C19 2424/4885

“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.