SCHEMBL30355776

SCHEMBL30355776

N#Cc1cc(-c2nnc(-c3ccc4[nH]cnc4c3)o2)ccc1NCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
QPCT Q16769 16/20 0.39
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL23523807 1.00 ERN1 (0.40) ERN1JAK2JAK1TYK2JAK3
SCHEMBL23523914 0.85 QPCT (0.38) QPCTPIM1PIM3PIM2
SCHEMBL30355565 0.85 QPCT (0.38) QPCTPIM1PIM3PIM2
SCHEMBL30355519 0.84 QPCT (0.41) QPCT
SCHEMBL23524394 0.84 QPCT (0.41) QPCT
SCHEMBL23558413 0.84 QPCT (0.40) QPCTPIM1PIM2
SCHEMBL30355504 0.84 QPCT (0.40) QPCT
SCHEMBL23523965 0.84 QPCT (0.40) QPCT
SCHEMBL23524181 0.82 QPCT (0.39) QPCT
SCHEMBL30355483 0.82 QPCT (0.39) QPCT

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 3 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-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

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 ERN1 1099/4885JAK2 1301/4885JAK1 1560/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 ERN1 2153/4885JAK2 2872/4885JAK1 2491/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 ERN1 1099/4885JAK2 1301/4885JAK1 1560/4885

“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.