SCHEMBL3421929

SCHEMBL3421929

CCCCC/N=C(/NC#N)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
ZDHHC2 Q9UIJ5 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
FAAH O00519 6/20 0.38
P2RX3 P56373 2/20 0.37
MGLL Q99685 2/20 0.36
LTA4H P09960 1/20 0.36
SLC2A1 P11166 2/20 0.35
SCN5A Q14524 1/20 0.34
SCN2A Q99250 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
SCHEMBL3421930 1.00 KMT2A (0.49) KMT2AZDHHC2PRSS1PRSS2PRSS3
SCHEMBL2854760 0.84 KMT2A (0.55) KMT2AP2RX3
SCHEMBL2854762 0.84 KMT2A (0.55) KMT2AP2RX3
SCHEMBL3968978 0.77 KMT2A (0.54) KMT2A
SCHEMBL7214893 0.76 KMT2A (0.60) KMT2APRSS1FAAHLTA4H
SCHEMBL10656076 0.76 KMT2A (0.59) KMT2A
SCHEMBL10656070 0.76 KMT2A (0.59) KMT2A
SCHEMBL11290548 0.75 ACHE (0.42) KMT2A
SCHEMBL11290545 0.75 ACHE (0.42) KMT2A
SCHEMBL9865297 0.73 KMT2A (0.38) KMT2AP2RX3SCN5ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791830-B1 DIAMINOTRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2010-12-29 EP disclosed
US-7329652-B2 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARAMACEUTICALS INCORPORATED (US) 2008-02-12 US disclosed
EP-1791830-A1 DIAMINOTRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2007-06-06 EP disclosed
WO-2006034116-A1 DIAMINOTRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-30 WO disclosed
US-20060063756-A1 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2006-03-23 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-20060063756-A1 Diaminotriazole compounds useful as protein kinase inhibitors JAK2, JAK3, JAK1 KMT2A 726/4885ZDHHC2 2547/4885PRSS1 2657/4885

“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.