SCHEMBL5349846

SCHEMBL5349846

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 6/20 0.44
MAPK8 P45983 5/20 0.44
MAPK10 P53779 5/20 0.44
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.37
P2RX7 Q99572 3/20 0.37
GLS O94925 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 1/20 0.34
TBXAS1 P24557 1/20 0.34
NR3C2 P08235 1/20 0.34
CHRM1 P11229 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5349848 1.00 MAPK9 (0.44) MAPK9MAPK8MAPK10MEN1KMT2A
SCHEMBL5337175 0.84 FFAR1 (0.38) MEN1KMT2AALDH1A1MAPK1P2RX7
SCHEMBL5337171 0.84 FFAR1 (0.38) MEN1KMT2AALDH1A1MAPK1P2RX7
SCHEMBL2828455 0.82 SMN1; SMN2 (0.36) MEN1KMT2AMAPK1P2RX7CYP1A2
SCHEMBL2828454 0.82 SMN1; SMN2 (0.36) MEN1KMT2AMAPK1P2RX7CYP1A2
SCHEMBL5340343 0.78 CYP1A2 (0.39) MAPK9MAPK8MAPK10MEN1KMT2A
SCHEMBL5340350 0.78 CYP1A2 (0.39) MAPK9MAPK8MAPK10MEN1KMT2A
SCHEMBL5342412 0.76 CTBP2 (0.40) MAPK9MAPK8MEN1KMT2AALDH1A1
SCHEMBL5342416 0.76 CTBP2 (0.40) MAPK9MAPK8MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5342994 0.75 MAPK8 (0.43) MAPK9MAPK8MAPK10MEN1KMT2A

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 MAPK9 1566/4885MAPK8 1359/4885MAPK10 1081/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 MAPK9 1566/4885MAPK8 1359/4885MAPK10 1081/4885

“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.