SCHEMBL25529239

SCHEMBL25529239

COC(=O)c1c2n(c(C)c(Br)c1=O)CCOC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 6/20 0.36
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALOX15 P16050 2/20 0.35
HPGD P15428 1/20 0.35
MGLL Q99685 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9537605 0.77 MAPK1 (0.61) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27218042 0.76 MAPK1 (0.41) MAPK1MEN1KMT2AALDH1A1POLB
SCHEMBL27218084 0.75 MAPK1 (0.40) MAPK1MEN1KMT2AALDH1A1POLB
SCHEMBL25529240 0.75 ALDH1A1 (0.39) MAPK1MEN1KMT2AALDH1A1POLB
SCHEMBL25529232 0.74 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL25533295 0.67 KDM4E (0.58) MAPK1MEN1KMT2AALDH1A1KDM4E
SCHEMBL25529231 0.65 ALDH1A1 (0.40) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL25536925 0.62 KMT2A (0.47) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29867991 0.60 ALDH1A1 (0.34) MAPK1ALDH1A1POLBKDM4E
SCHEMBL15968716 0.59 ALDH1A1 (0.44) MAPK1MEN1KMT2AALDH1A1POLB

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-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
EP-4110779-A1 COMPOUNDS AND METHODS OF USE Exelixis, Inc. (US) 2023-01-04 EP 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 MAPK1 310/4885MEN1 3817/4885KMT2A 3083/4885

“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.