SCHEMBL31498513

SCHEMBL31498513

CCc1nccnc1-c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MBNL1 Q9NR56 1/20 0.39
PDE10A Q9Y233 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
PIM1 P11309 3/20 0.36
HSP90AA1 P07900 1/20 0.36
USP7 Q93009 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL31366303 0.77
SCHEMBL8371342 0.77
SCHEMBL14094485 0.73 PDK1 (0.44) ALDH1A1KDM4EADORA3
SCHEMBL8217066 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EMBNL1PDE10ANPC1
SCHEMBL14495744 0.71 REN (0.33)
SCHEMBL17263265 0.71 CCR1 (0.37) KDM4EMBNL1PDE10ANPC1CYP1A2
SCHEMBL24926680 0.70 KDM4E (0.48) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL23224186 0.69 PDE3B (0.34) ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL17263268 0.68 PDK1 (0.37) ALDH1A1KDM4E
SCHEMBL17263269 0.68 CYP1A2 (0.39) CYP1A2CYP2C19

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-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2025-05-01 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-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 FLT3, MCL1, JAK2 ALDH1A1 1930/4885KDM4E 2617/4885MBNL1 4775/4885

“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.