SCHEMBL5340353

SCHEMBL5340353

N#CNC(=N)Cc1cccc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.46
GLS O94925 2/20 0.42
MAPK9 P45984 5/20 0.41
MAPK8 P45983 4/20 0.40
MAPK10 P53779 4/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 1/20 0.38
TBXAS1 P24557 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NSD2 O96028 1/20 0.37

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
SCHEMBL5343945 0.79 P2RX7 (0.36) P2RX7KDM4EMAPT
SCHEMBL5341006 0.77 NSD2 (0.45) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28200282 0.72 MEN1 (0.50) GLSMAPK9MAPK8MAPK10ALDH1A1
SCHEMBL5350726 0.72 MAPT (0.48) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5340343 0.71 CYP1A2 (0.39) P2RX7GLSMAPK9MAPK8MAPK10
SCHEMBL5340350 0.71 CYP1A2 (0.39) P2RX7GLSMAPK9MAPK8MAPK10
SCHEMBL3686474 0.71 IFNAR1 (0.43) MAPK1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3136413 0.70 KDM4E (0.56) GLSALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3720399 0.70 KDM4E (0.59) GLSMAPK9MAPK8MAPK10ALDH1A1
SCHEMBL5341823 0.69 CTBP2 (0.39) MAPK8ALDH1A1LMNAMEN1KMT2A

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 P2RX7 3/4885GLS 1071/4885MAPK9 1566/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 P2RX7 3/4885GLS 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.