SCHEMBL3595206

SCHEMBL3595206

O=C(/C=C/c1ccccc1O)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
KDM4E B2RXH2 3/20 0.64
NPC1 O15118 3/20 0.64
PKM P14618 3/20 0.64
RAB9A P51151 3/20 0.64
LMNA P02545 3/20 0.64
BCHE P06276 1/20 0.58
GUSB P08236 1/20 0.58
NFKB1 P19838 2/20 0.56
JUN P05412 1/20 0.56
NFE2L2 Q16236 1/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CHRNA7 P36544 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 2/20 0.53

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
SCHEMBL3595210 1.00 MAPT (0.64) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL3595625 0.83 BCHE (0.54) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL3595621 0.83 BCHE (0.54) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL1821799 0.83 MAPT (0.59) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL197678 0.83 MAPT (0.62) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL31088325 0.83 MAPT (0.62) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL9224095 0.83 RAB9A (0.62) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL9224101 0.83 RAB9A (0.62) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL31088328 0.83 MAPT (0.62) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL197677 0.83 MAPT (0.62) MAPTKDM4ENPC1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
EP-0677293-A1 PHARMACEUTICAL USE OF TERPYRIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-10-18 EP 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-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MAP3K5, MAP4K5, MAP3K20 MAPT 2375/4885KDM4E 1270/4885NPC1 2494/4885

“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.