SCHEMBL27033400

SCHEMBL27033400

Clc1cc(NCc2cnc3[nH]cc(Cl)c3c2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.43
CYP2C19 P33261 3/20 0.43
CLK4 Q9HAZ1 5/20 0.40
PIM1 P11309 5/20 0.40
PRKACA P17612 5/20 0.40
GSK3B P49841 5/20 0.40
HIPK2 Q9H2X6 5/20 0.40
FLT3 P36888 4/20 0.40
ROCK2 O75116 4/20 0.40
CDK2 P24941 4/20 0.40
IRAK4 Q9NWZ3 4/20 0.40
CDC7 O00311 4/20 0.40
CSF1R P07333 3/20 0.40
KDR P35968 3/20 0.40
KIT P10721 2/20 0.40
PLK4 O00444 2/20 0.40
CHEK1 O14757 2/20 0.40
JAK2 O60674 2/20 0.40
EGFR P00533 2/20 0.40
RET P07949 2/20 0.40

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
SCHEMBL29958152 1.00 CYP3A4 (0.43) CYP3A4CYP2C19CLK4PIM1PRKACA
SCHEMBL17920909 0.77 F2 (0.41) CYP3A4CYP2C19JAK2KLKB1MAP4K1
SCHEMBL29957948 0.76 ABL1 (0.44) CYP3A4CYP2C19CLK4KDRFGFR1
SCHEMBL27033591 0.76 ABL1 (0.44) CYP3A4CYP2C19CLK4KDRFGFR1
SCHEMBL7443703 0.72 PRMT5 (0.48) JAK2KLKB1MAP4K1PRMT5WDR77
SCHEMBL29481417 0.72 PRMT5 (0.48) JAK2KLKB1MAP4K1PRMT5WDR77
SCHEMBL23452595 0.71 KLKB1 (0.50) KLKB1MAP4K1ITK
Hydrochloric Acid SCHEMBL7213801 0.71 PRMT5 (0.47) JAK2KLKB1MAP4K1PRMT5WDR77
Hydrochloric Acid SCHEMBL29485586 0.71 PRMT5 (0.47) JAK2KLKB1MAP4K1PRMT5WDR77
Hydrochloric Acid SCHEMBL16881193 0.71 PRMT5 (0.47) JAK2KLKB1MAP4K1PRMT5WDR77

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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 US disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP 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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CYP3A4 1770/4885CYP2C19 1479/4885CLK4 1662/4885

“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.