SCHEMBL21100754

SCHEMBL21100754

CNC(=O)c1cc(Oc2ccc(Nc3nc(N4CCCC4)ccc3C(N)=O)cc2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.71
NR2C2 P49116 3/20 0.71
NFKB2 Q00653 3/20 0.71
RELA Q04206 3/20 0.71
TAB1 Q15750 3/20 0.71
RAF1 P04049 13/20 0.49
BRAF P15056 14/20 0.48
BTK Q06187 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL20998564 0.88 NFKB1 (0.75) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL18044996 0.83 BTK (0.73) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL16670588 0.83 BTK (0.73) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL1217377 0.74 RAF1 (0.71) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL28427186 0.73 RAF1 (0.63) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL1650528 0.72 RAF1 (0.68) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL13648120 0.72 RAF1 (0.64) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL15573297 0.72 KDR (0.64) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL5319531 0.72 KDR (0.67) NFKB1NR2C2NFKB2RELATAB1
SCHEMBL16651380 0.72 KDR (0.67) NFKB1NR2C2NFKB2RELATAB1

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-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 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-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK NFKB1 1405/4885NR2C2 2872/4885NFKB2 2082/4885

“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.