SCHEMBL29620846

SCHEMBL29620846

CCOc1ccc(-c2nc3ncccn3c2-c2ccnc(C)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.46
AAK1 Q2M2I8 1/20 0.43
ROCK2 O75116 1/20 0.41
PIM1 P11309 1/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 3/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
MAPK14 Q16539 1/20 0.39
GRM2 Q14416 7/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL23407549 1.00 KLK7 (0.46) KLK7AAK1ROCK2PIM1GSK3B
SCHEMBL23407614 0.90 ALDH1A1 (0.52) KLK7AAK1ROCK2PIM1GSK3B
SCHEMBL29620837 0.90 ALDH1A1 (0.52) KLK7AAK1ROCK2PIM1GSK3B
SCHEMBL22394775 0.89 KLK7 (0.43) KLK7AAK1ROCK2PIM1GSK3B
SCHEMBL30527103 0.89 KLK7 (0.43) KLK7AAK1ROCK2PIM1GSK3B
SCHEMBL23407618 0.88 MAPK14 (0.44) KLK7AAK1ROCK2PIM1GSK3B
SCHEMBL29620789 0.88 MAPK14 (0.44) KLK7AAK1ROCK2PIM1GSK3B
SCHEMBL23407709 0.87 KLK7 (0.43) KLK7AAK1ROCK2PIM1GSK3B
SCHEMBL29620820 0.87 KLK7 (0.43) KLK7AAK1ROCK2PIM1GSK3B
SCHEMBL5260161 0.84 MAPT (0.45) KLK7ROCK2PIM1GSK3BKDM4E

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-20220372027-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2022-11-24 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 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 (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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 KLK7 2363/4885AAK1 3498/4885ROCK2 3659/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS KLK7 2447/4885AAK1 2287/4885ROCK2 3303/4885

“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.