SCHEMBL31059613

SCHEMBL31059613

C[C@@H](O)c1cc(Cl)ccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR4A2 P43354 3/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.33
PNMT P11086 1/20 0.33
CXCR2 P25025 2/20 0.33
CX3CR1 P49238 2/20 0.33
SOS2 Q07890 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
SORD Q00796 1/20 0.32

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
SCHEMBL2088079 1.00 KDM4C (0.42) KDM4CALDH1A1MAPTL3MBTL1NR4A2
SCHEMBL31059829 1.00 KDM4C (0.42) KDM4CALDH1A1MAPTL3MBTL1NR4A2
SCHEMBL31059631 1.00 KDM4C (0.42) KDM4CALDH1A1MAPTL3MBTL1NR4A2
SCHEMBL12782211 0.84 KDM4C (0.41) KDM4CALDH1A1MAPTL3MBTL1NR4A2
SCHEMBL23343770 0.83 KDM4C (0.39) KDM4CALDH1A1MAPTL3MBTL1NR4A2
SCHEMBL908395 0.83 KDM4C (0.41) KDM4CALDH1A1MAPTL3MBTL1NR4A2
SCHEMBL4016788 0.79 LMNA (0.44) KDM4CALDH1A1MAPTL3MBTL1NR4A2
SCHEMBL4016781 0.79 LMNA (0.44) KDM4CALDH1A1MAPTL3MBTL1NR4A2
SCHEMBL4016785 0.79 LMNA (0.44) KDM4CALDH1A1MAPTL3MBTL1NR4A2
SCHEMBL19228426 0.79 KDM4C (0.36) KDM4CALDH1A1MAPTL3MBTL1NR4A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240366615-A1 POLQ INHIBITORS ASTRAZENECA UK LIMITED (GB) 2024-11-07 US disclosed
US-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-09-26 US disclosed
WO-2024178335-A2 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-08-29 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 (2 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-20240366615-A1 POLQ INHIBITORS POLQ, POLG, POLB KDM4C 2393/4885ALDH1A1 3824/4885MAPT 1924/4885
US-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK20, CDK3 KDM4C 3614/4885ALDH1A1 4325/4885MAPT 168/4885

“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.