SCHEMBL11962836

SCHEMBL11962836

CCN(C)c1cc(C)nc2c(C)cnn12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 15/20 0.44
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ENPP1 P22413 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11951623 0.82 CRHR1 (0.39) CRHR1LMNACYP1A2MAPK1ENPP1
SCHEMBL11894447 0.81 KDM4E (0.61) CRHR1KDM4E
SCHEMBL11962827 0.75 KDM4E (0.48) CRHR1KDM4E
SCHEMBL8288618 0.72 KDM4E (0.61) PKMKDM4EL3MBTL1
SCHEMBL11962825 0.70 KMT2A (0.48) LMNAKDM4ETP53
SCHEMBL19455177 0.69 MAPT (0.59) LMNACYP1A2MAPK1PKMKDM4E
SCHEMBL10407273 0.69 KDM4E (0.41) LMNACYP1A2MAPK1PKMKDM4E
SCHEMBL10407271 0.69 KDM4E (0.41) LMNACYP1A2MAPK1PKMKDM4E
SCHEMBL5788541 0.69 CRHR1 (0.58) CRHR1LMNACYP1A2MAPK1
SCHEMBL3948912 0.69 CRHR1 (0.39) CRHR1LMNACYP1A2MAPK1KDM4E

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
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 CRHR1 3023/4885LMNA 3281/4885CYP1A2 2934/4885
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 CRHR1 3023/4885LMNA 3281/4885CYP1A2 2934/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 CRHR1 3023/4885LMNA 3281/4885CYP1A2 2934/4885

“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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