SCHEMBL21097151

SCHEMBL21097151

COc1cc(CNc2nc(-c3cn(C4CCCNC4)c4cnc(Br)cc34)c3sccc3n2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 11/20 0.38
CCNH P51946 11/20 0.38
MNAT1 P51948 11/20 0.38
ADORA2A P29274 2/20 0.35
ACVR1 Q04771 1/20 0.35
ADORA2B P29275 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL21096555 0.96 CYP1A2 (0.36) CDK7CCNHMNAT1ADORA2AACVR1
SCHEMBL21096681 0.87 ACVR1 (0.35) ADORA2AACVR1ADORA2BCYP1A2CYP2C9
SCHEMBL21096789 0.85 ADORA2B (0.35) ADORA2AACVR1ADORA2BCYP1A2CYP2C9
SCHEMBL21097153 0.83 ADORA2B (0.40) ADORA2AACVR1ADORA2B
SCHEMBL21096551 0.81 ADORA2B (0.41) ADORA2AADORA2B
SCHEMBL21096553 0.76 GAA (0.39) CDK7CCNHMNAT1ADORA2AADORA2B
SCHEMBL21097146 0.70 ADORA2A (0.37) CDK7CCNHMNAT1ADORA2A
SCHEMBL21096805 0.69 ACVR1 (0.40) ADORA2AACVR1ADORA2BCYP1A2CYP2C9
SCHEMBL21096552 0.68 CYP1A2 (0.37) ADORA2AACVR1ADORA2BCYP1A2CYP2C9
SCHEMBL21097167 0.67 MAP3K14 (0.40) ADORA2A

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 CDK7 594/4885CCNH 3731/4885MNAT1 453/4885

“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.