SCHEMBL21241576

SCHEMBL21241576

Clc1ccc(-c2cnc3[nH]nc(I)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.46
TNIK Q9UKE5 3/20 0.44
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 3/20 0.40
DYRK1B Q9Y463 3/20 0.40
CLK1 P49759 2/20 0.40
DYRK2 Q92630 1/20 0.40
CDK8 P49336 2/20 0.39
AXL P30530 1/20 0.39
MAP4K4 O95819 3/20 0.38
CYP1A2 P05177 1/20 0.38
KCNH2 Q12809 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
CCNC P24863 1/20 0.38
MAP3K11 Q16584 2/20 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
SCHEMBL9940853 0.80 JAK2 (0.42)
SCHEMBL20408723 0.78 KIT (0.59) KITTNIKCCNT1CCNA2CDK2
SCHEMBL28675330 0.74 MAP4K1 (0.60)
SCHEMBL30290509 0.74 MAP4K1 (0.60)
SCHEMBL12966250 0.73 GSK3A (0.45) KITTNIKGSK3AGSK3BDYRK1A
SCHEMBL18437141 0.72 PIM1 (0.47) DYRK1AAXL
SCHEMBL18136742 0.72 DYRK1A (0.44) KITDYRK1AMAP3K11
SCHEMBL23098906 0.70 PIK3CA (0.49) TNIKCCNT1CCNA2CDK2CDK9
SCHEMBL5539202 0.70 KIT (0.46) KITTNIKCCNT1CCNA2CDK2
SCHEMBL13500372 0.69

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-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-01-02 US disclosed
US-20210078995-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2021-03-18 US disclosed
WO-2019149738-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2019-08-08 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-20210078995-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH MAPK4, MAP3K4, MAP4K1 KIT 2945/4885TNIK 300/4885CCNT1 2624/4885
US-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAP3K4, MAP4K1 KIT 2945/4885TNIK 300/4885CCNT1 2624/4885

“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.