SCHEMBL5666016

SCHEMBL5666016

NC(=O)c1nc(-c2ccc(Cl)cc2Cl)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 11/20 0.47
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
CDC7 O00311 3/20 0.44
CDK2 P24941 3/20 0.44
CSNK1A1 P48729 2/20 0.44
CSNK1D P48730 2/20 0.44
CDK9 P50750 2/20 0.44
CSNK2A1 P68400 2/20 0.44
PLK4 O00444 1/20 0.44
MAPK13 O15264 1/20 0.44
DAPK3 O43293 1/20 0.44
DYRK3 O43781 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKCG P05129 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL11269230 0.82 ALPL (0.44) ALPLHSP90AA1HSP90AB1ALPGDHODH
SCHEMBL1676535 0.76 HSP90AA1 (0.54) ALPLHSP90AA1HSP90AB1DPP4LMNA
SCHEMBL7144947 0.74 HSP90AA1 (0.47) ALPLHSP90AA1HSP90AB1MAPK1LMNA
SCHEMBL7674674 0.73 HSP90AA1 (0.51) ALPLHSP90AA1HSP90AB1LMNA
SCHEMBL30785517 0.72 CDC7 (0.47) ALPLHSP90AA1HSP90AB1CDC7CDK2
SCHEMBL17498422 0.72 CDC7 (0.47) ALPLHSP90AA1HSP90AB1CDC7CDK2
SCHEMBL27592593 0.71 PTPN1 (0.46) ALPLHSP90AA1HSP90AB1LMNA
SCHEMBL28573837 0.71 SMN1; SMN2 (0.44) ALPLHSP90AA1HSP90AB1DPP4LMNA
SCHEMBL31376139 0.71 ALPL (0.43) ALPLHSP90AA1HSP90AB1ALPGLMNA
SCHEMBL5999257 0.71 KDM4E (0.55) ALPLHSP90AA1HSP90AB1CDC7CDK2

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-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE ALPL 181/4885HSP90AA1 3076/4885HSP90AB1 2732/4885

“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.