SCHEMBL125391

SCHEMBL125391

CNC(CC#N)=C(C#N)C#N

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.46
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL13680251 0.76 MCL1 (0.50) MCL1KDM4EMEN1LMNAMAPT
SCHEMBL26330936 0.75 MCL1 (0.31) MCL1
SCHEMBL12703489 0.75 KDM4E (0.38) MCL1KDM4EMEN1LMNAMAPT
SCHEMBL13756087 0.68 MCL1 (0.35) MCL1KDM4EMEN1LMNAMAPT
SCHEMBL9149426 0.65 ALDH1A1 (0.53) MCL1KDM4EMEN1MAPTKMT2A
SCHEMBL26331126 0.65 GAA (0.50) MCL1KDM4EMEN1LMNAMAPT
SCHEMBL24891614 0.63
SCHEMBL1568646 0.63
SCHEMBL1747673 0.63
SCHEMBL12853692 0.63

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
WO-2023170608-A1 ACTIVATORS OF EFFECTOR T CELLS ORUM THERAPEUTICS, INC. (KR) 2023-09-14 WO disclosed
US-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 MCL1 4841/4885KDM4E 2422/4885MEN1 4480/4885
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase PNP, CDKL1, ASNS MCL1 2679/4885KDM4E 1068/4885MEN1 4482/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS MCL1 4839/4885KDM4E 2483/4885MEN1 4473/4885

“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.