SCHEMBL5340343

SCHEMBL5340343

N#C/N=C(/N)Cc1cccc2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
GLS O94925 2/20 0.39
MAPK9 P45984 5/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
CYP19A1 P11511 1/20 0.38
TBXAS1 P24557 1/20 0.38
MAPK8 P45983 4/20 0.38
MAPK10 P53779 4/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
P2RX7 Q99572 4/20 0.38
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC9A1 P19634 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL5340350 1.00 CYP1A2 (0.39) CYP1A2GLSMAPK9LOXL2CYP19A1
SCHEMBL5343939 0.79 P2RX7 (0.36) CYP1A2MAPTKDM4EP2RX7ALDH1A1
SCHEMBL5343942 0.79 P2RX7 (0.36) CYP1A2MAPTKDM4EP2RX7ALDH1A1
SCHEMBL5349846 0.78 MAPK9 (0.44) CYP1A2GLSMAPK9CYP19A1TBXAS1
SCHEMBL5349848 0.78 MAPK9 (0.44) CYP1A2GLSMAPK9CYP19A1TBXAS1
SCHEMBL5340997 0.77 NSD2 (0.42) MAPK1MAPTKDM4EP2RX7HTT
SCHEMBL5341001 0.77 NSD2 (0.42) MAPK1MAPTKDM4EP2RX7HTT
SCHEMBL3783847 0.75 GLS (0.49) CYP1A2GLSMAPK9LOXL2CYP19A1
SCHEMBL6403118 0.73 MEN1 (0.54) CYP1A2KDM4EP2RX7HTTALDH1A1
SCHEMBL28200282 0.72 MEN1 (0.50) CYP1A2GLSMAPK9LOXL2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain CARROLL WILLIAM A 2007-10-04 US disclosed
US-7241776-B2 Cyanoamidine P2X7 antagonists for the treatment of pain ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 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 (2 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-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain P2RX2, P2RX1, P2RX7 CYP1A2 1306/4885GLS 1071/4885MAPK9 1566/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 CYP1A2 1306/4885GLS 1071/4885MAPK9 1566/4885

“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.