SCHEMBL23524006

SCHEMBL23524006

CC(C)Nc1ccc(-c2nnc(-c3ccc4[nH]cnc4c3)o2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.41
PIM1 P11309 4/20 0.37
PIM2 Q9P1W9 4/20 0.37
PIM3 Q86V86 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
SCHEMBL30355516 1.00 QPCT (0.41) QPCTPIM1PIM2PIM3
SCHEMBL23524340 0.86 QPCT (0.40) QPCT
SCHEMBL30355632 0.86 QPCT (0.40) QPCT
SCHEMBL30355620 0.83 BRD4 (0.36) QPCTPIM1PIM2PIM3
SCHEMBL23524222 0.83 BRD4 (0.36) QPCTPIM1PIM2PIM3
SCHEMBL23523820 0.82 LRRK2 (0.44) PIM1PIM2PIM3
SCHEMBL30355554 0.82 LRRK2 (0.44) PIM1PIM2PIM3
SCHEMBL30355504 0.82 QPCT (0.40) QPCT
SCHEMBL23523965 0.82 QPCT (0.40) QPCT
SCHEMBL23524186 0.82 PGR (0.37) PIM1PIM2

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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 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 (4 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 QPCT 2503/4885PIM1 1959/4885PIM2 2899/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 QPCT 2329/4885PIM1 4128/4885PIM2 4348/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 QPCT 2503/4885PIM1 1959/4885PIM2 2899/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 QPCT 2503/4885PIM1 1959/4885PIM2 2899/4885

“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.