SCHEMBL20323331

SCHEMBL20323331

CNc1ccc(-c2ccc3nc4n(c3c2)C(c2ccccc2)COC4)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
ATM Q13315 2/20 0.35
PIK3CA P42336 2/20 0.35
AKT1 P31749 1/20 0.35
HPGD P15428 1/20 0.34
APP P05067 3/20 0.34
P2RX7 Q99572 1/20 0.34
MAPT P10636 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MTOR P42345 2/20 0.33
ATR Q13535 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
SCHEMBL18151512 0.89 ATM (0.42) TNFATMMTOR
SCHEMBL29795081 0.87 TNF (0.40) TNFCCNCCDK8ATMPIK3CA
SCHEMBL18150897 0.87 TNF (0.40) TNFCCNCCDK8ATMPIK3CA
SCHEMBL18150959 0.86 TNF (0.38) TNFCCNCCDK8ATMPIK3CA
SCHEMBL18151156 0.84 TNF (0.38) TNFCCNCCDK8ATMP2RX7
SCHEMBL18150817 0.84 TNF (0.38) TNFCCNCCDK8ATMP2RX7
SCHEMBL18153251 0.83 TNF (0.37) TNFCCNCCDK8ATMPIK3CA
SCHEMBL18150881 0.83 TNF (0.37) TNFCCNCCDK8ATMPIK3CA
SCHEMBL18150804 0.83 FTO (0.37) TNFCCNCCDK8ATMPIK3CA
SCHEMBL18151632 0.83 PIK3CB (0.40) TNFCCNCCDK8ATMP2RX7

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-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 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-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 TNF 1/4885CCNC 1982/4885CDK8 913/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 TNF 1/4885CCNC 1982/4885CDK8 913/4885

“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.