SCHEMBL25910314

SCHEMBL25910314

CC(=N)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.55
▸ MAPK11 Q15759 3/20 0.53
▸ MAPK14 Q16539 3/20 0.53
▸ HPGDS O60760 1/20 0.50
▸ ALKBH2 Q6NS38 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.48
▸ PRMT5 O14744 1/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ADAMTS7 Q9UKP4 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45

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
SCHEMBL12057532 0.88 KLKB1 (0.71) KLKB1MAPK11MAPK14HPGDSALKBH2
SCHEMBL25910310 0.83 KLKB1 (0.80) KLKB1
SCHEMBL2605693 0.79 HPGDS (0.62) HPGDSALKBH2SMN1; SMN2NPC1RAB9A
SCHEMBL27645860 0.77 HPGDS (0.64) HPGDSALKBH2SMN1; SMN2NPC1RAB9A
SCHEMBL25910329 0.76 LMNA (0.65) KLKB1SMN1; SMN2HPGD
SCHEMBL4903546 0.74 HPGDS (0.68) HPGDSALKBH2SMN1; SMN2NPC1RAB9A
Acetic Acid SCHEMBL29253713 0.73 KLKB1 (0.66) KLKB1MAPK11MAPK14HPGDSSMN1; SMN2
Acetic Acid SCHEMBL29253774 0.73 KLKB1 (0.94) KLKB1
SCHEMBL25910325 0.73 NPC1 (0.61) NPC1RAB9AHDAC1HPGD
SCHEMBL31023522 0.73 EPHX2 (0.60) KLKB1MAPK11MAPK14HPGDSALKBH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234927-A1 PROCESSES FOR PREPARING PLASMA KALLIKREIN INHIBITORS REZOLUTE INC (US) 2023-07-27 — — 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 (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-20230234927-A1 PROCESSES FOR PREPARING PLASMA KALLIKREIN INHIBITORS C1R, C1S, KLKB1 KLKB1 3/4885MAPK11 3049/4885MAPK14 3786/4885

“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.

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