SCHEMBL27201751

SCHEMBL27201751

Nc1cc(F)c(Br)c(CO)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
PTPN1 P18031 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL30689824 1.00 GAA (0.31) GAAMAPTKDM1AKDM1BPTPN1
SCHEMBL13068931 0.78 GPR84 (0.38) MAPTPTPN1
SCHEMBL29629074 0.78 GPR84 (0.38) MAPTPTPN1
SCHEMBL14060828 0.78 CES2 (0.30)
SCHEMBL566146 0.77 TAAR1 (0.39) PTPN1
SCHEMBL238421 0.77 KDM1A (0.44) GAAMAPTKDM1AKDM1BALDH1A1
SCHEMBL31448739 0.75 THRB (0.43) GAAMAPTALDH1A1
SCHEMBL30689827 0.75 ALDH1A1 (0.39) GAAMAPTALDH1A1
SCHEMBL27201762 0.75 THRB (0.43) GAAMAPTALDH1A1
SCHEMBL30821445 0.75 PDK2 (0.35) MAPTPTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132525-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2024-04-25 US disclosed
WO-2023244775-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2023-12-21 WO 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-20240132525-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK2, JAK1, JAK3 GAA 1742/4885MAPT 2562/4885KDM1A 1940/4885

“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.