SCHEMBL13586019

SCHEMBL13586019

ClN(Cl)c1ccnc2scnc12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 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
SCHEMBL12395178 0.74 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KB
SCHEMBL31389937 0.74 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KB
SCHEMBL22734182 0.70 GRM1 (0.43)
SCHEMBL13586024 0.69 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KB
SCHEMBL1009034 0.69 CCR1 (0.41) PI4KAPI4K2BPI4K2API4KB
SCHEMBL15689524 0.69 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KB
SCHEMBL20674652 0.69 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KB
SCHEMBL13400630 0.65 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KB
SCHEMBL4569220 0.65 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KB
SCHEMBL31389766 0.60 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KB

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-10130611-B2 Use of benzo-heterocycle derivatives for preventing and treating cancer or for inhibiting cancer metastasis MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2018-11-20 US disclosed
US-20120283300-A1 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS SNU R&DB FOUNDATION (KR) 2012-11-08 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-10130611-B2 Use of benzo-heterocycle derivatives for preventing and treating cancer or for inhibiting cancer metastasis MKI67, KISS1R, NPY1R PI4KA 4227/4885PI4K2B 4273/4885PI4K2A 4346/4885
US-20120283300-A1 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS MKI67, KISS1R, NPY1R PI4KA 4227/4885PI4K2B 4273/4885PI4K2A 4346/4885

“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.