SCHEMBL29964729

SCHEMBL29964729

Ic1ccc(N2CCN3CCOC[C@H]3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
SOS1 Q07889 4/20 0.41
CTSK P43235 3/20 0.37
CTSC P53634 3/20 0.37
HRH3 Q9Y5N1 2/20 0.36
L3MBTL3 Q96JM7 2/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
ABL1 P00519 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATR Q13535 2/20 0.34
PHGDH O43175 1/20 0.33

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
SCHEMBL29964545 1.00 AKR1C3 (0.47) AKR1C3SOS1CTSKCTSCHRH3
SCHEMBL29964783 1.00 AKR1C3 (0.47) AKR1C3SOS1CTSKCTSCHRH3
SCHEMBL14862707 0.85 AKR1C3 (0.49) AKR1C3L3MBTL3ABL1L3MBTL1PHGDH
SCHEMBL15551986 0.85 SOS1 (0.41) SOS1CTSKCTSCHRH3L3MBTL1
SCHEMBL30644253 0.85 AKR1C3 (0.47) AKR1C3SOS1CTSKCTSCHRH3
SCHEMBL15551984 0.85 SOS1 (0.41) SOS1CTSKCTSCHRH3L3MBTL1
SCHEMBL31276654 0.85 AKR1C3 (0.47) AKR1C3SOS1CTSKCTSCHRH3
SCHEMBL16440196 0.85 AKR1C3 (0.47) AKR1C3SOS1HRH3L3MBTL1
SCHEMBL24680803 0.82 AKR1C3 (0.49) AKR1C3HRH3L3MBTL3L3MBTL1
SCHEMBL23328988 0.81 LMNA (0.43) SOS1

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 AKR1C3 2993/4885SOS1 1828/4885CTSK 613/4885

“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.