SCHEMBL23728564

SCHEMBL23728564

CCc1ccnc2c(C(=O)OC)cnn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.52
LIMK1 P53667 2/20 0.46
MAPK13 O15264 1/20 0.46
MARK2 Q7KZI7 1/20 0.46
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 7/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
BRAF P15056 3/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
PIM1 P11309 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 2/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL23728541 0.85 HSD11B1 (0.53) HSD11B1LIMK1MAPK13MARK2KDM4E
SCHEMBL23728502 0.78 KDM4E (0.45) LIMK1MAPK13MARK2KDM4EALDH1A1
SCHEMBL23728481 0.78 KDM4E (0.48) LIMK1MAPK13MARK2KDM4EALDH1A1
SCHEMBL23728439 0.77 KDM4E (0.59) HSD11B1LIMK1KDM4EALDH1A1NPC1
SCHEMBL25162482 0.76 KDM4E (0.44) LIMK1MAPK13MARK2KDM4EALDH1A1
SCHEMBL25162487 0.73 KDM4E (0.63) KDM4EALDH1A1NPC1RAB9ABRAF
SCHEMBL18819891 0.72 KDM4E (0.53) HSD11B1LIMK1MAPK13MARK2KDM4E
SCHEMBL4794157 0.72 KDM4E (0.61) KDM4EALDH1A1NPC1RAB9ABRAF
SCHEMBL30931731 0.72 KDM4E (0.60) LIMK1MAPK13MARK2KDM4EALDH1A1
SCHEMBL4894562 0.71 NPC1 (0.60) KDM4EALDH1A1NPC1RAB9ABRAF

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-20230122219-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-20 US disclosed
EP-4100004-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 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-20230122219-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HSD11B1 2834/4885LIMK1 825/4885MAPK13 1712/4885

“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.