SCHEMBL6402225

SCHEMBL6402225

COc1ccc(NC(N)=NC#N)c(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
P2RX7 Q99572 2/20 0.40
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
NAMPT P43490 1/20 0.35
PLAU P00749 1/20 0.34
NNMT P40261 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.34
F10 P00742 2/20 0.33
AHR P35869 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
SCHEMBL6402220 1.00 MAPT (0.44) MAPTMAPK1P2RX7POLBTDP1
SCHEMBL4683978 0.78 P2RX7 (0.41) MAPTP2RX7POLBALDH1A1NAMPT
SCHEMBL4683979 0.78 P2RX7 (0.41) MAPTP2RX7POLBALDH1A1NAMPT
SCHEMBL5960058 0.76 MAPT (0.57) MAPTMAPK1P2RX7POLBTDP1
SCHEMBL10310191 0.76 MAPT (0.50) MAPTMAPK1P2RX7POLBTDP1
SCHEMBL4678743 0.73 KMT2A (0.49) MAPTPOLBSMN1; SMN2HTTALDH1A1
SCHEMBL4678738 0.73 KMT2A (0.49) MAPTPOLBSMN1; SMN2HTTALDH1A1
SCHEMBL6561044 0.71 MAPT (0.58) MAPTMAPK1P2RX7POLBTDP1
SCHEMBL4682368 0.71 SIGMAR1 (0.61) MAPTPOLBTDP1SMN1; SMN2HPGD
SCHEMBL4682370 0.71 SIGMAR1 (0.61) MAPTPOLBTDP1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 MAPT 3662/4885MAPK1 1024/4885P2RX7 2/4885

“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.