SCHEMBL250166

SCHEMBL250166

CN1CCC(Oc2ccc(/N=C3/NC(=O)/C(=C/c4c[nH]c5ncccc45)S3)c(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.43
HPGD P15428 1/20 0.41
RNASEL Q05823 1/20 0.40
CSNK1E P49674 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK4 Q9NR20 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PTPN11 Q06124 1/20 0.38
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CDC7 O00311 3/20 0.37
DBF4 Q9UBU7 1/20 0.37
MMP3 P08254 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
SCHEMBL250167 1.00 DYRK3 (0.43) DYRK3HPGDRNASELCSNK1ECLK1
SCHEMBL8510193 0.96 DYRK3 (0.42) DYRK3HPGDRNASELCSNK1ECLK1
SCHEMBL246304 0.96 DYRK3 (0.42) DYRK3HPGDRNASELCSNK1ECLK1
SCHEMBL8513536 0.93 CDC7 (0.45) DYRK3HPGDMAPTRECQLNPSR1
SCHEMBL247678 0.93 CDC7 (0.45) DYRK3HPGDMAPTRECQLNPSR1
SCHEMBL8511133 0.90 SOS1 (0.37) DYRK3HPGDDYRK1ADYRK1BMAPT
SCHEMBL8511130 0.90 SOS1 (0.37) DYRK3HPGDDYRK1ADYRK1BMAPT
SCHEMBL246096 0.89 CDC7 (0.44) DYRK3HPGDMAPTRECQLNPSR1
SCHEMBL8509684 0.89 CDC7 (0.44) DYRK3HPGDMAPTRECQLNPSR1
SCHEMBL249815 0.89 HPGD (0.41) DYRK3HPGDRNASELCSNK1ECLK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135989-A1 AZAINDOLE DERIVATIVE CRYSTALGENOMICS, INC. (KR) 2012-05-31 US claimed
EP-2588478-A1 AZAINDOLE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2013-05-08 EP disclosed
US-20120135989-A1 AZAINDOLE DERIVATIVE CRYSTALGENOMICS, INC. (KR) 2012-05-31 US disclosed
WO-2012002568-A1 AZAINDOLE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2012-01-05 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-20120135989-A1 AZAINDOLE DERIVATIVE CDC7, CDCA2, CDC5L DYRK3 1263/4885HPGD 4159/4885RNASEL 2872/4885

“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.