SCHEMBL5337171

SCHEMBL5337171

CCO/C(Cc1cccnc1C)=N/C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 2/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRD4 O60885 1/20 0.32
P2RX7 Q99572 1/20 0.31
ELANE P08246 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
LMNA P02545 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL5337175 1.00 FFAR1 (0.38) FFAR1MEN1KMT2AGAASMN1; SMN2
SCHEMBL2828455 0.86 SMN1; SMN2 (0.36) MEN1KMT2AGAASMN1; SMN2KDM4E
SCHEMBL2828454 0.86 SMN1; SMN2 (0.36) MEN1KMT2AGAASMN1; SMN2KDM4E
SCHEMBL5349846 0.84 MAPK9 (0.44) MEN1KMT2AGAASMN1; SMN2CYP1A2
SCHEMBL5349848 0.84 MAPK9 (0.44) MEN1KMT2AGAASMN1; SMN2CYP1A2
SCHEMBL5342412 0.80 CTBP2 (0.40) FFAR1MEN1KMT2AGAASMN1; SMN2
SCHEMBL5342416 0.80 CTBP2 (0.40) FFAR1MEN1KMT2AGAASMN1; SMN2
SCHEMBL5343942 0.78 P2RX7 (0.36) FFAR1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5343939 0.78 P2RX7 (0.36) FFAR1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5352596 0.77 ALDH1A1 (0.40) KMT2AGAAKDM4ECYP1A2MAPT

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 FFAR1 358/4885MEN1 4588/4885KMT2A 3257/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 FFAR1 358/4885MEN1 4588/4885KMT2A 3257/4885

“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.