SCHEMBL29965019

SCHEMBL29965019

CN(C)Cc1cc(Br)ccc1OCC(F)F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.56
SLC6A4 P31645 7/20 0.51
SLC6A2 P23975 5/20 0.49
SLC6A3 Q01959 3/20 0.49
KMT2A Q03164 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.36
NPY1R P25929 1/20 0.36

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
SCHEMBL29964333 0.84 CCR5 (0.52) CCR5SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL16294005 0.81 PTGDR2 (0.40) CCR5KMT2APTGDR2ALDH1A1RAB9A
SCHEMBL16294286 0.78 CCR5 (0.41) CCR5KMT2APTGDR2RAB9A
SCHEMBL17152708 0.78 PTGDR2 (0.38) CCR5KMT2APTGDR2ALDH1A1RAB9A
SCHEMBL16293949 0.77 CSNK2A1 (0.40) CCR5KMT2APTGDR2ALDH1A1RAB9A
SCHEMBL29888844 0.76 SLC6A4 (0.56) CCR5SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL3696560 0.76 SLC6A4 (0.56) CCR5SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL29888798 0.76 CCR5 (0.57) CCR5SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL17705278 0.76 LMNA (0.41) CCR5SLC6A4KMT2AALDH1A1RAB9A
SCHEMBL7766037 0.75 AAK1 (0.46) SLC6A4ALDH1A1POLB

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 3103/4885SLC6A4 3317/4885SLC6A2 3144/4885

“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.