SCHEMBL648807

SCHEMBL648807

Nc1ncc(C=C2SC(=NCc3ccccc3Cl)NC2=O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
PTPN11 Q06124 1/20 0.41
GSK3B P49841 7/20 0.41
ALOX12 P18054 1/20 0.41
CDC25B P30305 3/20 0.40
PTPN1 P18031 2/20 0.40
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
DYRK3 O43781 2/20 0.38
PARP1 P09874 1/20 0.38
CSNK1E P49674 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 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

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
SCHEMBL648806 1.00 HPGD (0.45) HPGDPOLBPKMPTPN11GSK3B
SCHEMBL649936 0.82 MEN1 (0.43) HPGDPOLBPKMPTPN11GSK3B
SCHEMBL649937 0.82 MEN1 (0.43) HPGDPOLBPKMPTPN11GSK3B
SCHEMBL651957 0.81 LMNA (0.41) HPGDPOLBPKMPTPN11GSK3B
SCHEMBL649940 0.77 NPC1 (0.61) POLBGSK3BCDC25BDYRK3DYRK1A
SCHEMBL649939 0.77 NPC1 (0.61) POLBGSK3BCDC25BDYRK3DYRK1A
SCHEMBL648559 0.74 SMN1; SMN2 (0.42) HPGDPOLBPKMGSK3BALOX12
SCHEMBL650973 0.72 LMNA (0.39) PKMGSK3BCDC25BPTPN1
SCHEMBL651446 0.71 MEN1 (0.58) PTPN11GSK3BDYRK3CLK2DYRK1A
SCHEMBL651445 0.71 MEN1 (0.58) PTPN11GSK3BDYRK3CLK2DYRK1A

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
EP-2423204-A1 THIAZOLIDINONE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2012-02-29 EP disclosed
US-8119812-B2 Thiazolidinone derivative SBI BIOTECH CO., LTD. (JP) 2012-02-21 US disclosed
US-20110190299-A1 THIAZOLIDINONE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2011-08-04 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 (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-20110190299-A1 THIAZOLIDINONE DERIVATIVE CDC7, CDK17, CDCA2 HPGD 3970/4885POLB 2967/4885PKM 1647/4885

“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.