SCHEMBL24670729

SCHEMBL24670729

OCC1(F)CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
GRM5 P41594 3/20 0.36
ALK Q9UM73 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NT5E P21589 1/20 0.35
SYK P43405 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
PRMT5 O14744 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
SCHEMBL31382383 0.92 ENPP2 (0.36) ENPP2GRM5ALKALDH1A1SMN1; SMN2
SCHEMBL31306763 0.89 PDE10A (0.43) GRM5HRH4PRMT5
SCHEMBL31382136 0.85 ENPP2 (0.38) ENPP2GRM5ALKALDH1A1SMN1; SMN2
SCHEMBL25831440 0.84 GRM5 (0.40) ENPP2GRM5ALKALDH1A1SMN1; SMN2
SCHEMBL30484054 0.84 GRM5 (0.40) ENPP2GRM5ALKALDH1A1SMN1; SMN2
SCHEMBL31382298 0.84 FFAR4 (0.39) ENPP2GRM5ALKALDH1A1SMN1; SMN2
SCHEMBL26641490 0.84 NT5E (0.37) ENPP2GRM5ALKALDH1A1SMN1; SMN2
SCHEMBL31692672 0.83 NPC1 (0.42) ENPP2GRM5ALDH1A1SMN1; SMN2CYP11B2
SCHEMBL31062871 0.83 GRM5 (0.41) ENPP2GRM5ALDH1A1SMN1; SMN2MAPK1
SCHEMBL30936755 0.83 PRMT5 (0.47) PRMT5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2024-08-22 US disclosed
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO 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-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE ITK, NFATC1, TNIK ENPP2 253/4885GRM5 4083/4885ALK 2141/4885

“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.