SCHEMBL11951620

SCHEMBL11951620

CCN(C)c1ccnc2c(C(C)C)cnn12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ CDK5 Q00535 2/20 0.31
▸ CDK5R1 Q15078 2/20 0.31
▸ CDK7 P50613 2/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CCNH P51946 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HTT P42858 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
SCHEMBL11962827 0.81 KDM4E (0.48) GPR119KDM4EHTT
SCHEMBL11894259 0.76 KDM4E (0.48) KDM4E
SCHEMBL11951623 0.76 CRHR1 (0.39) CDK2GSK3BCDK5CDK5R1CDK7
SCHEMBL12913573 0.73 GPR119 (0.37) CDK2GSK3BCDK5CDK5R1CDK7
SCHEMBL11951634 0.73 KDM4E (0.38) CDK2GSK3BCDK5CDK5R1CDK7
SCHEMBL11951643 0.72 CDK7 (0.39) CDK2GSK3BCDK5CDK5R1CDK7
SCHEMBL1369575 0.72 KDM4E (0.34) CDK2GSK3BCDK5CDK5R1CDK7
SCHEMBL20558034 0.72 GPR119 (0.36) CDK2GSK3BCDK5CDK5R1GPR119
SCHEMBL20542201 0.72 KDM4E (0.34) CDK2GSK3BCDK5CDK5R1CDK7
SCHEMBL11951631 0.69 AHR (0.40) CDK2GSK3BCDK5CDK5R1CDK7

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 6 patents. 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-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-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-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 CDK2 2005/4885GSK3B 3905/4885CDK5 783/4885
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 CDK2 2005/4885GSK3B 3905/4885CDK5 783/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 CDK2 2005/4885GSK3B 3905/4885CDK5 783/4885

“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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