SCHEMBL5577957

SCHEMBL5577957

CC(=O)Nc1nc2[nH]nc(-n3cncc3-c3ccccc3Cl)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.44
DYRK1A Q13627 2/20 0.37
ADORA1 P30542 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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 0.90 PAK1 (0.35) LIMK1DYRK1AMAPTGPBAR1ALDH1A1
SCHEMBL14455022 0.89 GPBAR1 (0.34) LIMK1DYRK1AMAPTGPBAR1ALDH1A1
SCHEMBL14455002 0.89 LIMK1 (0.47) LIMK1POLBMAPTGPBAR1ALDH1A1
SCHEMBL14454855 0.88 MEN1 (0.45) NPC1CASP3SENP8SENP7SENP6
SCHEMBL14455001 0.88 GSK3B (0.46) LIMK1DYRK1AADORA1MAPTALDH1A1
SCHEMBL14454995 0.88 ALDH1A1 (0.43) POLBMAPTGPBAR1ALDH1A1HPGD
SCHEMBL5577958 0.87 GPBAR1 (0.38) LIMK1POLBMAPTGPBAR1ALDH1A1
SCHEMBL5578061 0.87 SMN1; SMN2 (0.43) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL14454999 0.86 MEN1 (0.41) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL14455004 0.86 MEN1 (0.41) POLBMAPTALDH1A1SMN1; SMN2KDM4E

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 LIMK1 435/4885DYRK1A 577/4885ADORA1 3443/4885

“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.