SCHEMBL5578022

SCHEMBL5578022

Clc1ccccc1-c1cncn1-c1n[nH]c2nc(NCC3CC3)sc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.34
VCP P55072 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
ACHE P22303 2/20 0.32
CCNK O75909 1/20 0.31
CDK9 P50750 1/20 0.31
CRHR1 P34998 2/20 0.30
IDO1 P14902 1/20 0.30
P2RX7 Q99572 1/20 0.30
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
ERN1 O75460 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
JAK1 P23458 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
SCHEMBL14454855 0.83 MEN1 (0.45) MEN1KMT2A
SCHEMBL14455007 0.83 GPBAR1 (0.35) GPBAR1P2RX7
SCHEMBL5577958 0.83 GPBAR1 (0.38) GPBAR1P2RX7ALDH1A1KMT2A
SCHEMBL14454999 0.82 MEN1 (0.41) IDO1MEN1ALDH1A1KMT2A
SCHEMBL14455004 0.82 MEN1 (0.41) IDO1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL14455023 0.80 MEN1 (0.39) IDO1CNR1CNR2MEN1ALDH1A1
SCHEMBL5577951 0.80 GPBAR1 (0.39) GPBAR1IDO1P2RX7KMT2A
SCHEMBL4753611 0.79 GPBAR1 (0.39) GPBAR1IDO1P2RX7ALDH1A1JAK1
SCHEMBL5577957 0.79 LIMK1 (0.44) GPBAR1IDO1MEN1ALDH1A1KMT2A
SCHEMBL5577954 0.79 GPBAR1 (0.39) GPBAR1IDO1P2RX7

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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 GPBAR1 1899/4885VCP 2880/4885MKNK1 26/4885

“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.