SCHEMBL25528958

SCHEMBL25528958

CCOC(=O)CC(=O)Nc1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NAMPT P43490 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
BCHE P06276 1/20 0.51
LMNA P02545 2/20 0.50
GALR3 O60755 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NOD2 Q9HC29 2/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
STAT3 P40763 1/20 0.49

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
SCHEMBL14476963 0.87 BCHE (0.61) TSHRRAB9ASMN1; SMN2NAMPTMEN1
SCHEMBL306349 0.84 BCHE (0.56) RAB9ASMN1; SMN2MEN1KMT2ABCHE
SCHEMBL679125 0.83 TSHR (0.69) TSHRPKMSMN1; SMN2GAAHSD17B10
SCHEMBL8142603 0.83 TSHR (0.73) TSHRPKMMEN1KMT2AGAA
SCHEMBL25528963 0.81 LMNA (0.58) TSHRPKMRAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7130171 0.81 TSHR (0.67) TSHRPKMRAB9ASMN1; SMN2GAA
SCHEMBL3836378 0.81 BCHE (0.64) TSHRPKMRAB9ASMN1; SMN2NAMPT
SCHEMBL11429211 0.80 TSHR (0.69) TSHRPKMRAB9ASMN1; SMN2MEN1
SCHEMBL9863064 0.80 TSHR (0.69) TSHRPKMRAB9AMEN1KMT2A
SCHEMBL16477197 0.80 TSHR (0.69) TSHRPKMRAB9AMEN1KMT2A

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-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN 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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX TSHR 2982/4885PKM 345/4885RAB9A 2620/4885

“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.