SCHEMBL6085757

SCHEMBL6085757

O=C(NCc1ccccc1)Nc1cccc(-c2n[nH]cc2-c2nc3ccccc3o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
HSD17B10 Q99714 5/20 0.50
KDM4E B2RXH2 4/20 0.50
P2RY14 Q15391 7/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 2/20 0.49
USP2 O75604 4/20 0.48
TSHR P16473 3/20 0.48

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
SCHEMBL6085266 0.92 RAB9A (0.52) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6086270 0.91 RAB9A (0.55) NAMPTHSD17B10KDM4EP2RY14KMT2A
SCHEMBL6084509 0.91 P2RY14 (0.54) NAMPTKDM4EP2RY14MEN1KMT2A
SCHEMBL6083980 0.91 NAMPT (0.55) NAMPTHSD17B10KDM4EP2RY14RAB9A
SCHEMBL6084651 0.90 NAMPT (0.52) NAMPTHSD17B10MEN1KMT2ARAB9A
SCHEMBL6085606 0.90 MEN1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6084151 0.84 MAPT (0.61) HSD17B10KDM4EMEN1KMT2AUSP2
SCHEMBL6084978 0.81 P2RY14 (0.61) HSD17B10KDM4EP2RY14RAB9AUSP2
SCHEMBL6085217 0.81 RAB9A (0.56) NAMPTHSD17B10KDM4ERAB9AALDH1A1
SCHEMBL6084550 0.81 AGPAT2 (0.54) HDAC6HSD17B10KDM4EMEN1KMT2A

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 5 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 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
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 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-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors MAP3K15, MAP3K20, MAP3K3 NAMPT 1839/4885HDAC3 871/4885HDAC4 958/4885

“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.