SCHEMBL27202082

SCHEMBL27202082

NC(=O)c1nnccc1CC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
MAP2K3 P46734 1/20 0.31
KMT2A Q03164 2/20 0.31
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
IKBKB O14920 1/20 0.31
PLOD2 O00469 1/20 0.30
PLOD3 O60568 1/20 0.30
PLOD1 Q02809 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
SCHEMBL22290178 0.82 P2RX7 (0.34) MAP2K3KMT2AP2RX7MEN1
SCHEMBL31275306 0.75 L3MBTL1 (0.34) MAP2K3KMT2AIKBKB
SCHEMBL27202091 0.75 IKBKB (0.34) MAP2K3KMT2AP2RX7MEN1IKBKB
SCHEMBL16346446 0.74 KMT2A (0.36) MAP2K3KMT2AMEN1IKBKB
SCHEMBL5225727 0.73
SCHEMBL9017967 0.70 SIRT3 (0.50) KMT2AMEN1
SCHEMBL27202064 0.70 CA2 (0.31)
SCHEMBL21464721 0.70 BID (0.39) KMT2AMEN1
SCHEMBL31275565 0.69 HCRTR1 (0.33) KMT2A
SCHEMBL3145246 0.69 MAP2K3 (0.44) MAP2K3KMT2AP2RX7MEN1IKBKB

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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF CCNA2 631/4885CDK2 2417/4885CCNA1 786/4885

“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.