SCHEMBL26566752

SCHEMBL26566752

COc1cccc(-c2cc(=O)[nH]c3ccc(Br)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.54
CLK1 P49759 2/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
ERBB2 P04626 1/20 0.48
PTK6 Q13882 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
CHEK1 O14757 1/20 0.47
WEE1 P30291 1/20 0.47
GAA P10253 2/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46

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
SCHEMBL31253416 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL6171595 0.86 MAPT (0.49) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL8987324 0.83 HPGD (0.68) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL25652542 0.80 MAPT (0.49) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL12277483 0.80 RXFP1 (0.67) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL1757943 0.80 MEN1 (0.62) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL7523167 0.79 ALDH1A1 (0.78) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL1771735 0.77 KDM4E (0.57) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL5514658 0.77 MAPT (0.53) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL25652535 0.76 RXFP1 (0.45) SMN1; SMN2MEN1KMT2AMAPTALDH1A1

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
WO-2024137751-A1 METHODS OF TREATING ADVANCED SOLID TUMORS KURA ONCOLOGY, INC. (US) 2024-06-27 WO disclosed
US-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same KURA ONCOLOGY, INC. (US) 2024-06-25 US disclosed
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME WUXI APPTEC (HONG KONG) LIMITED (CN) 2023-10-12 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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same FNTA, FDPS, GGPS1 SMN1; SMN2 4108/4885MEN1 72/4885KMT2A 4281/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 SMN1; SMN2 4108/4885MEN1 72/4885KMT2A 4281/4885

“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.