SCHEMBL5577951

SCHEMBL5577951

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.39
HSD11B1 P28845 2/20 0.33
P2RX7 Q99572 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.32
IDO1 P14902 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALPL P05186 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CDK2 P24941 1/20 0.30
POLB P06746 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
SCHEMBL4753611 0.87 GPBAR1 (0.39) GPBAR1HSD11B1P2RX7DCUN1D1IDO1
SCHEMBL5577958 0.86 GPBAR1 (0.38) GPBAR1HSD11B1P2RX7DCUN1D1NPC1
SCHEMBL5577954 0.84 GPBAR1 (0.39) GPBAR1P2RX7IDO1
SCHEMBL5577957 0.83 LIMK1 (0.44) GPBAR1IDO1NPC1TP53CYP2D6
SCHEMBL14455007 0.81 GPBAR1 (0.35) GPBAR1P2RX7
SCHEMBL5577933 0.81 PAK1 (0.35) GPBAR1NPC1TP53CYP2D6CYP2C9
SCHEMBL14454855 0.81 MEN1 (0.45) NPC1RAB9AKMT2A
SCHEMBL14455022 0.80 GPBAR1 (0.34) GPBAR1NPC1TP53CYP2D6CYP2C9
SCHEMBL5578022 0.80 GPBAR1 (0.34) GPBAR1P2RX7IDO1KMT2A
SCHEMBL14455002 0.80 LIMK1 (0.47) GPBAR1NPC1TP53HPGDRAB9A

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-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
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 GPBAR1 1899/4885HSD11B1 3411/4885P2RX7 1457/4885

“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.