SCHEMBL31028985

SCHEMBL31028985

Cn1ccc(-c2cn[nH]c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
KEAP1 Q14145 1/20 0.48
AKT2 P31751 2/20 0.48
AKT1 P31749 1/20 0.48
SCN4A P35499 1/20 0.45
CYP19A1 P11511 1/20 0.44
MAPK1 P28482 1/20 0.42
JMJD6 Q6NYC1 1/20 0.42
CLK2 P49760 1/20 0.41
HIPK1 Q86Z02 1/20 0.41
DYRK2 Q92630 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CHEK1 O14757 3/20 0.40
CHEK2 O96017 3/20 0.40
MAPK8 P45983 1/20 0.40
ROCK2 O75116 2/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL370887 0.73 GRM4 (0.60) KMT2AMAPK1CLK2CLK4ROCK2
SCHEMBL3740850 0.73 AKT2 (0.70) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL16432987 0.71 AKT2 (0.76) AKT2AKT1ROCK2PIM1PIM3
SCHEMBL15689115 0.71 AKT2 (0.76) AKT2AKT1ROCK2PIM1PIM3
SCHEMBL18157906 0.71 KMT2A (0.64) KMT2AKEAP1SCN4ACYP19A1JMJD6
Hydrochloric Acid SCHEMBL28973063 0.71 AKT2 (0.67) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL21241065 0.70 PIM1 (0.42) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL25731569 0.69 KMT2A (0.57) KMT2AKEAP1SCN4ACYP19A1JMJD6
SCHEMBL31454224 0.69 NOTUM (0.47) KMT2AKEAP1JMJD6MKNK1MKNK2
SCHEMBL16554996 0.69 DYRK1A (0.59) AKT2AKT1MAPK1CLK4CHEK1

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-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-09-17 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-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors KLKB1, SERPINE1, SERPINB1 KMT2A 1389/4885KEAP1 1495/4885AKT2 4075/4885

“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.