SCHEMBL31079124

SCHEMBL31079124

CC(C)N1CCN(c2ccc(-c3cc(-c4ccc5c(c4)S(=O)(=O)CNC5=O)c(N)nc3F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 6/20 0.39
▸ TGFBR1 P36897 5/20 0.39
▸ BMPR1B O00238 2/20 0.39
▸ BMPR1A P36894 2/20 0.39
▸ ACVRL1 P37023 2/20 0.39
▸ ACVR1B P36896 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ ALK Q9UM73 5/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ F12 P00748 2/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ SYK P43405 2/20 0.34
▸ HRH4 Q9H3N8 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
SCHEMBL29964957 0.82 MAPK1 (0.42) ACVR1TGFBR1FYNALKHRH3
SCHEMBL29964557 0.80 MAPKAPK2 (0.41) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL29964634 0.80 MAPK1 (0.41) ACVR1TGFBR1FYNALKHRH3
SCHEMBL29965169 0.80 FYN (0.38) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL31079351 0.79 TDP2 (0.43) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL31079426 0.78 FYN (0.37) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL29964516 0.77 OGA (0.40) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL29964007 0.77 FYN (0.41) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL29965037 0.77 ACVR1 (0.41) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL29965014 0.76 TGFBR1 (0.52) ACVR1TGFBR1FYN

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 ACVR1 3323/4885TGFBR1 4134/4885BMPR1B 2033/4885

“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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