SCHEMBL29965161

SCHEMBL29965161

CC(C)[C@@H]1CN(c2ccc(-c3cnc(N)c(Cl)c3F)c(F)c2)CCO1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.37
▸ ALOX5AP P20292 3/20 0.37
▸ FEN1 P39748 3/20 0.37
▸ BMPR1B O00238 2/20 0.37
▸ BMPR1A P36894 2/20 0.37
▸ TGFBR1 P36897 2/20 0.37
▸ ACVRL1 P37023 2/20 0.37
▸ ACVR1 Q04771 2/20 0.37
▸ FFAR2 O15552 1/20 0.35
▸ ALK Q9UM73 1/20 0.34
▸ MET P08581 2/20 0.33
▸ NR1H2 P55055 5/20 0.32
▸ NR1H3 Q13133 5/20 0.32
▸ WDR5 P61964 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ PRKDC P78527 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL29964665 1.00 DGAT1 (0.37) DGAT1ALOX5APFEN1BMPR1BBMPR1A
SCHEMBL29964018 0.87 LRRK2 (0.37) DGAT1ALOX5APFEN1TGFBR1FFAR2
SCHEMBL29964621 0.87 LRRK2 (0.37) DGAT1ALOX5APFEN1TGFBR1FFAR2
SCHEMBL29964948 0.82 DGAT1 (0.36) DGAT1ALOX5APFEN1BMPR1BBMPR1A
SCHEMBL29965063 0.82 DGAT1 (0.36) DGAT1ALOX5APFEN1BMPR1BBMPR1A
SCHEMBL24680971 0.77 RAD51 (0.43) FFAR2NR1H2NR1H3
SCHEMBL24681541 0.77 RAD51 (0.43) FFAR2NR1H2NR1H3
SCHEMBL29914426 0.77 RAD51 (0.43) FFAR2NR1H2NR1H3
SCHEMBL24680805 0.77 RAD51 (0.43) FFAR2NR1H2NR1H3
SCHEMBL29914582 0.77 RAD51 (0.43) FFAR2NR1H2NR1H3

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-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
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 — — 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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 DGAT1 3546/4885ALOX5AP 4225/4885FEN1 2836/4885

“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.

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