SCHEMBL5577958

SCHEMBL5577958

CNc1nc2[nH]nc(-n3cncc3-c3ccccc3Cl)c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.38
HSD11B1 P28845 2/20 0.33
ADK P55263 1/20 0.33
CXCR2 P25025 1/20 0.32
P2RX7 Q99572 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
GSK3B P49841 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
CYP1A2 P05177 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
SCHEMBL5577933 0.88 PAK1 (0.35) GPBAR1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5577957 0.87 LIMK1 (0.44) GPBAR1POLBKMT2AALDH1A1TDP1
SCHEMBL5577951 0.86 GPBAR1 (0.39) GPBAR1HSD11B1P2RX7POLBKMT2A
SCHEMBL4753611 0.85 GPBAR1 (0.39) GPBAR1HSD11B1P2RX7ALDH1A1KDM4E
SCHEMBL14455002 0.85 LIMK1 (0.47) GPBAR1POLBKMT2AALDH1A1KDM4E
SCHEMBL14455022 0.85 GPBAR1 (0.34) GPBAR1KMT2AALDH1A1KDM4EMAPT
SCHEMBL14454855 0.83 MEN1 (0.45) KMT2AGSK3BNPC1RAB9A
SCHEMBL14455007 0.83 GPBAR1 (0.35) GPBAR1P2RX7
SCHEMBL14455001 0.83 GSK3B (0.46) KMT2AALDH1A1KDM4EGAAMAPT
SCHEMBL14455006 0.83 MEN1 (0.40) GPBAR1POLBKMT2AALDH1A1KDM4E

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 1899/4885HSD11B1 3411/4885ADK 186/4885

“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.