SCHEMBL29964334

SCHEMBL29964334

COC1CCN(Cc2cc(Br)ccc2OCCCC(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.52
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL29964963 0.81 KDM4E (0.70) CCR5KDM4ETDP1ALDH1A1
SCHEMBL29964762 0.81 CCR5 (0.53) CCR5KDM4ETDP1
SCHEMBL29964333 0.72 CCR5 (0.52) CCR5KDM4ETDP1ALDH1A1
SCHEMBL29965021 0.71 KDM4E (0.65) CCR5KDM4ETDP1ALDH1A1
SCHEMBL29964086 0.68 KDM4E (0.42) CCR5KDM4ETDP1ALDH1A1
SCHEMBL27159965 0.68 KDM4E (0.42) CCR5KDM4ETDP1ALDH1A1
SCHEMBL29964740 0.68 CCR5 (0.42) CCR5KDM4ETDP1ALDH1A1
SCHEMBL5699910 0.68 CCR5 (1.00) CCR5
SCHEMBL3157458 0.68 CCR5 (0.58) CCR5KDM4ETDP1ALDH1A1
SCHEMBL1428200 0.67 KDM4E (0.53) CCR5KDM4EALDH1A1

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 CCR5 3103/4885KDM4E 1986/4885TDP1 708/4885

“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.