SCHEMBL2213512

SCHEMBL2213512

O=C(O)/C=C/c1cccc(-c2cccc(NC3CCC(O)CC3)n2)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 17/20 0.79
▸ PIM1 P11309 4/20 0.67
▸ CCNT1 O60563 2/20 0.46
▸ CNR1 P21554 1/20 0.46

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
SCHEMBL13220320 1.00 PIM2 (0.79) PIM2PIM1CCNT1CNR1
SCHEMBL13220322 1.00 PIM2 (0.79) PIM2PIM1CCNT1CNR1
SCHEMBL2213523 1.00 PIM2 (0.79) PIM2PIM1CCNT1CNR1
SCHEMBL2213400 0.91 PIM2 (0.80) PIM2PIM1CCNT1CNR1
SCHEMBL13220309 0.91 PIM2 (0.80) PIM2PIM1CCNT1CNR1
SCHEMBL12513069 0.91 PIM2 (0.80) PIM2PIM1CCNT1CNR1
SCHEMBL2215171 0.91 PIM2 (0.80) PIM2PIM1CCNT1CNR1
SCHEMBL2211931 0.88 PIM2 (1.00) PIM2PIM1
SCHEMBL2213511 0.88 PIM2 (1.00) PIM2PIM1
SCHEMBL12513066 0.88 PIM2 (1.00) PIM2PIM1

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-2061762-B1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-07-27 — — EP claimed
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 — — US claimed
US-8318723-B2 Pyrazine compounds, their use and methods of preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-27 — — US disclosed
EP-2061762-B1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-07-27 — — EP disclosed
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 — — 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-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION CDK2, PIM1, CCNK PIM2 16/4885PIM1 2/4885CCNT1 41/4885

“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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