SCHEMBL29324345

SCHEMBL29324345

CC(C)c1cncnc1C(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
MCOLN2 Q8IZK6 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL4546362 0.85 P2RX3 (0.36) P2RX3P2RX2MCOLN2CYP11B1CYP11B2
SCHEMBL21347897 0.83 MCOLN2 (0.36) MCOLN2CYP11B1CYP11B2CYP17A1
SCHEMBL26558669 0.79 P2RX3 (0.34) P2RX3P2RX2
SCHEMBL21041367 0.76 P2RX3 (0.33) P2RX3P2RX2CYP11B1CYP11B2
SCHEMBL25484605 0.74 CYP11B1 (0.33) P2RX3P2RX2MCOLN2CYP11B1CYP11B2
SCHEMBL25618878 0.74 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL26315298 0.72 HDAC4 (0.31)
SCHEMBL31214086 0.71 CYP11B1 (0.39) CYP11B1CYP11B2
SCHEMBL2737342 0.71 P2RX3 (0.33) P2RX3P2RX2
SCHEMBL21340203 0.71 MCOLN2 (0.33) MCOLN2CYP17A1

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-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 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-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 P2RX3 4854/4885P2RX2 4810/4885MCOLN2 2512/4885

“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.