SCHEMBL6957237

SCHEMBL6957237

CSc1nc(Cl)cc(-c2ncc[nH]2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HTT P42858 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NISCH Q9Y2I1 2/20 0.34
SMPD3 Q9NY59 1/20 0.33
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
ADRA2A P08913 2/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
HSP90AB1 P08238 1/20 0.31
BRD4 O60885 1/20 0.31
HPGD P15428 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30

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
SCHEMBL6140510 0.78 NISCH (0.37) KMT2AMEN1SMN1; SMN2NISCHSMPD3
SCHEMBL4084793 0.73 IDO1 (0.44) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL24575956 0.72 CCR1 (0.42) KMT2AMEN1SMN1; SMN2NISCHSMPD3
SCHEMBL7505372 0.72 KMT2A (0.40) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL62021 0.71 POLB (0.53) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL5372667 0.69 CDC7 (0.43) KMT2AMEN1SMN1; SMN2NISCHSMPD3
SCHEMBL5192498 0.69 NISCH (0.41) KMT2AMEN1SMN1; SMN2NISCHSMPD3
SCHEMBL6473915 0.67 NR4A2 (0.46) POLBHTTKMT2AMEN1PDK1
SCHEMBL7521036 0.67 KDM4E (0.56) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL6033417 0.66 NR4A2 (0.45) POLBHTTKMT2AMEN1PDK1

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-20030229092-A1 Antidiabetic agents; antiinflammatory agents; analgesics; antiallergens PHARMACOPEIA, INC. (US) 2003-12-11 US disclosed
EP-1196411-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2002-04-17 EP disclosed
WO-2001005783-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2001-01-25 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 (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-20030229092-A1 Antidiabetic agents; antiinflammatory agents; analgesics; antiallergens BDKRB1, BDKRB2, HRH2 POLB 1746/4885HTT 3951/4885KMT2A 3838/4885

“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.