SCHEMBL3421932

SCHEMBL3421932

CCCCCNC(=NC#N)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.50
MGLL Q99685 3/20 0.47
NAAA Q02083 1/20 0.42
EPHX1 P07099 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL14996220 1.00 ZDHHC2 (0.50) ZDHHC2MGLLNAAAEPHX1ALDH1A1
SCHEMBL13630803 0.99 ZDHHC2 (0.52) ZDHHC2MGLLNAAAEPHX1ALDH1A1
SCHEMBL13617146 0.90 MAPT (0.40) ZDHHC2MGLLALDH1A1
SCHEMBL13617147 0.85 ZDHHC2 (0.36) ZDHHC2MGLL
SCHEMBL14996210 0.85 HPGD (0.40) ZDHHC2MGLLALDH1A1HTT
SCHEMBL24654022 0.84 KMT2A (0.38) ZDHHC2MGLL
SCHEMBL21597554 0.84 KMT2A (0.41) ZDHHC2MGLLALDH1A1
SCHEMBL21597555 0.84 KMT2A (0.41) ZDHHC2MGLLALDH1A1
SCHEMBL13066415 0.84 KMT2A (0.41) ZDHHC2MGLLALDH1A1
SCHEMBL29306423 0.84 SMN1; SMN2 (0.46) ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252045-B1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC (US) 2019-09-04 EP disclosed
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals ABBVIE INC. (US) 2018-10-30 US disclosed
EP-2867221-B1 CYANOGUANIDINES AND THEIR SUE AS ANTIVIRAL AGENTS. ABBVIE INC (US) 2018-01-17 EP disclosed
EP-3252045-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2017-12-06 EP disclosed
US-20150322045-A1 CYANOGUANIDINES AND USES THEREOF ABBVIE INC. 2015-11-12 US disclosed
EP-2867221-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2015-05-06 EP disclosed
WO-2014005129-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC. (US) 2014-01-03 WO disclosed
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 (3 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-20150322045-A1 CYANOGUANIDINES AND USES THEREOF GMPS, RNGTT, RNMT ZDHHC2 4719/4885MGLL 3991/4885NAAA 1113/4885
US-20060063756-A1 Diaminotriazole compounds useful as protein kinase inhibitors JAK2, JAK3, JAK1 ZDHHC2 2547/4885MGLL 4545/4885NAAA 3085/4885
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals RNGTT, GMPS, RNMT ZDHHC2 4857/4885MGLL 4262/4885NAAA 1952/4885

“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.