SCHEMBL31099577

SCHEMBL31099577

NC(=O)c1nc(C(F)(F)F)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.36
CCNC P24863 1/20 0.36
PARP1 P09874 2/20 0.34
P2RX7 Q99572 1/20 0.34
AHR P35869 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
KMT2A Q03164 1/20 0.33
SCN9A Q15858 2/20 0.32
SYK P43405 1/20 0.32
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31
IKBKB O14920 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1970186 0.82 AHR (0.35) P2RX7AHRKMT2ASYKALDH1A1
SCHEMBL1973298 0.81 AHR (0.34) P2RX7AHRKMT2ASYKALDH1A1
SCHEMBL1973301 0.79 AHR (0.33) P2RX7AHR
SCHEMBL28801401 0.74 AHR (0.31) AHR
SCHEMBL3821371 0.73 LMNA (0.41) CDK8CCNCKMT2AALDH1A1
SCHEMBL28801400 0.72
SCHEMBL161337 0.71
SCHEMBL161336 0.71
SCHEMBL8561 0.71
SCHEMBL30276153 0.70 CCNC (0.33) CDK8CCNC

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-20240300927-A1 AMIDES AS CBL-B INHIBITORS GENENTECH, INC. (US) 2024-09-12 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-20240300927-A1 AMIDES AS CBL-B INHIBITORS CBLB, CBL, CBLC CDK8 318/4885CCNC 674/4885PARP1 4192/4885

“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.