SCHEMBL6086910

SCHEMBL6086910

CCS(=O)(=O)Nc1cccc(-c2n[nH]cc2-c2nc3c(C)ccc(C(C)C)c3o2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAP3K5 Q99683 1/20 0.39
AR P10275 3/20 0.38
KIT P10721 1/20 0.37
BRD4 O60885 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BRDT Q58F21 1/20 0.36
HSP90B1 P14625 2/20 0.35
TRAP1 Q12931 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ROCK2 O75116 1/20 0.34
KMT2A Q03164 1/20 0.33
GRIA2 P42262 1/20 0.33
PDE5A O76074 1/20 0.33

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
SCHEMBL6085573 0.92 BRD4 (0.42) HSP90AA1ALDH1A1LMNATHRBHPGD
SCHEMBL6085567 0.88 PTPN2 (0.42) ALDH1A1LMNAHPGDKMT2ATP53
SCHEMBL6203053 0.88 PTPN2 (0.42) ALDH1A1LMNAHPGDNPSR1SMN1; SMN2
SCHEMBL6085797 0.84 NPC1 (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL6084819 0.83 ALDH1A1 (0.44) ALDH1A1LMNAHPGDNPSR1SMN1; SMN2
SCHEMBL6084903 0.81 MEN1 (0.44) ALDH1A1LMNAHPGDNPSR1SMN1; SMN2
SCHEMBL6086423 0.80 TSHR (0.46) ALDH1A1LMNAHPGDNPSR1SMN1; SMN2
SCHEMBL6086056 0.80 POLB (0.44) ALDH1A1LMNAHPGDNPSR1SMN1; SMN2
SCHEMBL6085763 0.80 TP53 (0.37) ALDH1A1LMNATHRBHPGDSMN1; SMN2
SCHEMBL6085149 0.78 MAOB (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105535-B2 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2006-09-12 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2004-09-16 US claimed
US-7105535-B2 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2006-09-12 US disclosed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP disclosed
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2004-09-16 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-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors MAP3K15, MAP3K20, MAP3K3 HSP90AA1 1245/4885ALDH1A1 3486/4885LMNA 4688/4885

“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.