SCHEMBL25528964

SCHEMBL25528964

CCOC(=O)CC(=O)Nc1ccnc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
PKM P14618 2/20 0.50
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPK1 P28482 1/20 0.42
GRM5 P41594 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30174284 1.00 TSHR (0.52) TSHRPKMHPGDMEN1KMT2A
SCHEMBL30174292 0.87 KCNH2 (0.45) MEN1KMT2AKCNH2GRM5ANO1
SCHEMBL25528971 0.87 KCNH2 (0.45) MEN1KMT2AKCNH2GRM5ANO1
SCHEMBL18626344 0.82 TSHR (0.54) TSHRHPGDMEN1KMT2AGAA
SCHEMBL19308461 0.81 MEN1 (0.50) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL19308446 0.80 TP53 (0.51) HPGDMEN1KMT2AMAPTLMNA
SCHEMBL25528958 0.79 TSHR (0.65) TSHRPKMMEN1KMT2AGAA
SCHEMBL28709820 0.77 KMT2A (0.69) TSHRPKMMEN1KMT2AMAPT
SCHEMBL5750203 0.77 ALDH1A1 (0.48) TSHRPKMMEN1KMT2AGAA
SCHEMBL9416709 0.76 TSHR (0.56) TSHRPKMHPGDMEN1KMT2A

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 345/4885HPGD 1359/4885

“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.