SCHEMBL27159784

SCHEMBL27159784

CC1CN(c2ccc(Br)cc2C=O)CCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
PIK3CA P42336 2/20 0.38
PRKDC P78527 2/20 0.38
MTOR P42345 1/20 0.38
ERN1 O75460 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NR3C2 P08235 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
ATR Q13535 2/20 0.34
ATRIP Q8WXE1 2/20 0.34
MAPT P10636 2/20 0.34
GSK3B P49841 2/20 0.34
SCN9A Q15858 1/20 0.34
ALDH3A1 P30838 1/20 0.34
ALDH1A3 P47895 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29914789 1.00 ALDH1A1 (0.41) ALDH1A1PIK3CAPRKDCMTORERN1
SCHEMBL27159780 1.00 ALDH1A1 (0.41) ALDH1A1PIK3CAPRKDCMTORERN1
SCHEMBL13660146 1.00 ALDH1A1 (0.41) ALDH1A1PIK3CAPRKDCMTORERN1
SCHEMBL1591379 0.83 ALDH1A1 (0.42) ALDH1A1ERN1MEN1LMNAKMT2A
SCHEMBL1591381 0.83 ALDH1A1 (0.42) ALDH1A1ERN1MEN1LMNAKMT2A
SCHEMBL1592019 0.83 ALDH1A1 (0.42) ALDH1A1ERN1MEN1LMNAKMT2A
SCHEMBL27994138 0.80 PIK3CA (0.43) ALDH1A1PIK3CAPRKDCMTORMEN1
SCHEMBL29914855 0.80 ALDH1A1 (0.61) ALDH1A1PIK3CAPRKDCERN1MEN1
SCHEMBL6102716 0.80 ALDH1A1 (0.61) ALDH1A1PIK3CAPRKDCERN1MEN1
SCHEMBL6103096 0.79 ERN1 (0.40) ALDH1A1ERN1LMNAMAPTSMN1; SMN2

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
US-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-12-26 US disclosed
EP-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
CN-117597336-A Halogen substituted amino aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 CN 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-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, WNK1 ALDH1A1 1439/4885PIK3CA 493/4885PRKDC 44/4885

“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.