SCHEMBL26072147

SCHEMBL26072147

O=C(O)c1cn2cc(Br)nc(N3CCCCC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
HTR2C P28335 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PIK3CA P42336 4/20 0.37
MTOR P42345 2/20 0.37
PTGER1 P34995 1/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GNE Q9Y223 1/20 0.33
PIK3R1 P27986 2/20 0.32
PIK3CD O00329 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
EGLN1 Q9GZT9 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 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
SCHEMBL26072359 0.86 PIK3CA (0.50) RXFP1HTR2CPIK3CAMTORPIK3R1
SCHEMBL5554280 0.81 KMT2A (0.49) RXFP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL9936641 0.76 RXFP1 (0.55) RXFP1PTGS1PTGS2KDM4ESMN1; SMN2
SCHEMBL10092229 0.75 PIK3CA (0.49) HTR2CPIK3CAMTORPIK3R1PIK3CD
SCHEMBL5560237 0.75 PIK3CA (0.64) HTR2CPIK3CAMTORPIK3R1PIK3CD
SCHEMBL30366721 0.75 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CDKDM4E
Lithium Ion SCHEMBL30366465 0.74 PIK3CA (0.48) HTR2CPIK3CAMTORPIK3R1PIK3CD
SCHEMBL30256824 0.73 RXFP1 (0.60) RXFP1PTGER1PTGS1PTGS2KDM4E
SCHEMBL23535037 0.70 RXFP1 (0.52) RXFP1PTGS1PTGS2KDM4EALDH1A1
SCHEMBL5563275 0.70 PIK3CA (0.44) PIK3CAMTORPIK3R1PIK3CD

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-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
EP-4165045-A1 DUAL KINASE-BROMODOMAIN INHIBITORS Monash University (AU) 2023-04-19 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-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MAP2K2, BRPF3, BRDT RXFP1 4204/4885HTR2C 4413/4885CSNK2A2 98/4885

“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.