SCHEMBL21050898

SCHEMBL21050898

CON(C)C(=O)c1cc(Cl)c(Br)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.38
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ABL1 P00519 1/20 0.36
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
HSP90AA1 P07900 1/20 0.34
SLC9A1 P19634 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
HTR3A P46098 2/20 0.33
HTR4 Q13639 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL25263181 0.82 PIK3CA (0.35) MEN1KMT2AGAAALDH1A1ABL1
SCHEMBL21494356 0.79 PIK3CA (0.37) MEN1KMT2AGAAALDH1A1ABL1
SCHEMBL28818644 0.79 MEN1 (0.46) MEN1KMT2AGAASLC6A3ALDH1A1
SCHEMBL18668513 0.78 GAA (0.57) GAAALDH1A1ABL1TSHRPOLB
SCHEMBL7356591 0.76 GAA (0.63) GAAALDH1A1CYP1A2CYP2D6HTR3A
SCHEMBL24611020 0.76 ALDH1A1 (0.43) MEN1KMT2AGAASLC6A3ALDH1A1
SCHEMBL30390446 0.75 SLC9A1 (0.40) GAAALDH1A1ABL1SLC9A1CYP3A4
SCHEMBL16636823 0.75 SLC9A1 (0.40) GAAALDH1A1ABL1SLC9A1CYP3A4
SCHEMBL28132 0.75 KDM4E (0.54) MEN1KMT2AGAAALDH1A1CYP1A2
SCHEMBL5618068 0.75 ABL1 (0.61) MEN1KMT2AGAAALDH1A1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107870-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. (US) 2023-06-15 WO disclosed
WO-2023107870-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. (US) 2023-06-15 WO disclosed
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US 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 (2 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 MEN1 248/4885KMT2A 1959/4885GAA 238/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 MEN1 248/4885KMT2A 1959/4885GAA 238/4885

“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.