SCHEMBL22904451

SCHEMBL22904451

N#Cc1c(F)cncc1Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
HPGD P15428 2/20 0.38
CYP19A1 P11511 3/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
PIN1 Q13526 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
ICAM1 P05362 1/20 0.35
SELE P16581 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
SCHEMBL30254863 1.00 ERBB2 (0.42) ERBB2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1162889 0.79 MEN1 (0.47) ERBB2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2127539 0.78 SLC6A4 (0.44) ERBB2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL22904449 0.77 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL22904429 0.73 CYP1A2 (0.46) ERBB2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10379455 0.73 TSHR (0.48) ERBB2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL22904448 0.72 TRPV4 (0.48) CYP11B1CYP11B2
SCHEMBL17508481 0.72 CYP1A2 (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
Thianthrene SCHEMBL31297736 0.71 SLC6A4 (0.39) ERBB2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL17427513 0.70 KDM4E (0.45) ERBB2ALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281831-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-09-08 US disclosed
WO-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
WO-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 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-20220281831-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF CRBN, CRKL, CDR2 ERBB2 375/4885ALDH1A1 2869/4885MEN1 2185/4885

“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.