SCHEMBL11894259

SCHEMBL11894259

CCN(C)c1ccnc2c(C(=O)O)cnn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ LIMK1 P53667 2/20 0.41
▸ MARK2 Q7KZI7 2/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ CREBBP Q92793 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ PIM1 P11309 3/20 0.37
▸ NR4A3 Q92570 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ GSK3A P49840 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CDK1 P06493 1/20 0.36

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
SCHEMBL23744975 0.85 KDM4E (0.52) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL11962827 0.80 KDM4E (0.48) KDM4EMAP2K1DYRK1A
SCHEMBL11894447 0.77 KDM4E (0.61) KDM4EALDH1A1TDP1NPC1RAB9A
SCHEMBL23728541 0.77 HSD11B1 (0.53) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL11951620 0.76 CDK2 (0.33) KDM4E
SCHEMBL30309818 0.76 KDM4E (0.46) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL359062 0.74 KDM4E (0.57) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL11894609 0.73 KDM4E (0.49) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL2462603 0.72 KDM4E (0.57) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL10408157 0.72 KDM4E (0.57) KDM4EALDH1A1TDP1MAP2K1CLK4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 — — US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 — — US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 — — US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 — — US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 — — US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 — — US disclosed
EP-3056495-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Inc. (US) 2016-08-17 — — EP disclosed
EP-3056495-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Inc. (US) 2016-08-17 — — EP disclosed
EP-2670752-B1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-03-16 — — EP disclosed
EP-2670752-B1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-03-16 — — EP disclosed
US-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-25 — — US disclosed
US-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-25 — — US disclosed
US-8916565-B2 Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 — — US disclosed
US-8916565-B2 Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 — — US disclosed
US-8916565-B2 Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 — — US disclosed
EP-2670752-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-12-11 — — EP disclosed
WO-2012106499-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 — — WO disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 — — US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 — — US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 — — 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 (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-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 KDM4E 2838/4885ALDH1A1 1663/4885TDP1 3809/4885
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 KDM4E 2838/4885ALDH1A1 1663/4885TDP1 3809/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 KDM4E 2838/4885ALDH1A1 1663/4885TDP1 3809/4885

“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.

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