SCHEMBL31079293

SCHEMBL31079293

CC(C)c1cc(Br)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
APLNR P35414 4/20 0.39
DGAT1 O75907 1/20 0.35
PYCR1 P32322 1/20 0.35
CYP2A6 P11509 1/20 0.34
SLC9A1 P19634 1/20 0.34
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACACB O00763 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
SCHEMBL12261433 1.00 GABRA1 (0.46) GABRA1GABRB1APLNRDGAT1PYCR1
Methoxymethane SCHEMBL27923058 0.94 APLNR (0.43) GABRA1GABRB1APLNRDGAT1PYCR1
SCHEMBL15464206 0.84 APLNR (0.38) GABRA1GABRB1APLNRDGAT1PYCR1
SCHEMBL16545023 0.84 APLNR (0.38) GABRA1GABRB1APLNRDGAT1PYCR1
SCHEMBL14987514 0.83 PDE2A (0.43) GABRA1GABRB1APLNRDGAT1PYCR1
SCHEMBL20238210 0.83 PDE2A (0.43) GABRA1GABRB1APLNRDGAT1PYCR1
SCHEMBL18449424 0.83 PDE2A (0.43) GABRA1GABRB1APLNRDGAT1PYCR1
SCHEMBL1145058 0.83 GABRA1 (0.39) GABRA1GABRB1APLNRDGAT1PYCR1
SCHEMBL16960364 0.83 APLNR (0.37) GABRA1GABRB1APLNRDGAT1PYCR1
SCHEMBL28802581 0.83 APLNR (0.37) GABRA1GABRB1APLNRDGAT1PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 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 (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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 GABRA1 3621/4885GABRB1 4016/4885APLNR 3339/4885

“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.