SCHEMBL2895685

SCHEMBL2895685

COCC(O)CNCc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.45
ADRB2 P07550 4/20 0.44
ADRB1 P08588 4/20 0.44
ADRB3 P13945 4/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
ACHE P22303 1/20 0.41
SLC2A4 P14672 1/20 0.41

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
SCHEMBL2895680 1.00 TSHR (0.45) TSHRMAPTNPC1ADRB2ADRB1
SCHEMBL1327171 0.83 MAPT (0.60) TSHRMAPTNPC1ADRB2ADRB1
SCHEMBL17005472 0.83 MAPT (0.60) TSHRMAPTNPC1ADRB2ADRB1
SCHEMBL2306548 0.83 MAPT (0.60) TSHRMAPTNPC1ADRB2ADRB1
SCHEMBL22365152 0.83 CASR (0.47) TSHRNPC1ADRB2ADRB1ADRB3
SCHEMBL16710538 0.81 TSHR (0.45) TSHRNPC1ADRB2ADRB1ADRB3
SCHEMBL16707862 0.81 TSHR (0.44) TSHRNPC1ADRB2ADRB1ADRB3
SCHEMBL20224963 0.81 TSHR (0.41) TSHRMAPTNPC1ADRB2ADRB1
SCHEMBL16724859 0.80 TSHR (0.42) TSHRNPC1ADRB2ADRB1ADRB3
SCHEMBL2567290 0.74 L3MBTL1 (0.57) GAAALDH1A1KDM4EGLASLC2A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 TSHR 989/4885MAPT 4114/4885NPC1 1850/4885

“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.