SCHEMBL31079174

SCHEMBL31079174

CC(C)N1CCN(c2ccc(-c3cc(-c4cc(F)c5c(=O)[nH]ccc5c4)c(N)nc3F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 5/20 0.41
TGFBR1 P36897 4/20 0.41
BMPR1B O00238 2/20 0.41
BMPR1A P36894 2/20 0.41
ACVRL1 P37023 2/20 0.41
ACVR1B P36896 1/20 0.41
TNIK Q9UKE5 1/20 0.41
ALK Q9UM73 5/20 0.40
FYN P06241 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
RPS6KA3 P51812 1/20 0.35
SYK P43405 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
IGF1R P08069 1/20 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
SCHEMBL31079373 0.91 ACVR1 (0.34) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL31079186 0.91 ACVR1 (0.34) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL31079161 0.88 ZAP70 (0.46) FYNRPS6KA3SYKKDM4EMAPT
SCHEMBL29964030 0.88 ALK (0.42) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL31079280 0.87 ZAP70 (0.45) RPS6KA3SYKZAP70
SCHEMBL29963876 0.87 ALK (0.41) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL31079438 0.87 ACVR1 (0.42) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL31079346 0.86 SYK (0.43) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL27159978 0.86 ALK (0.40) ACVR1TGFBR1BMPR1BBMPR1AACVRL1
SCHEMBL29964455 0.85 ACVR1 (0.41) ACVR1TGFBR1BMPR1BBMPR1AACVRL1

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.