SCHEMBL25857904

SCHEMBL25857904

CC(C)(CCC(C)(C)c1cccc2ncncc12)c1cccc2cnccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
SSTR4 P31391 2/20 0.41
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 3/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PRKD3 O94806 3/20 0.36
PRKCG P05129 3/20 0.36
PRKCB P05771 3/20 0.36
PRKCA P17252 3/20 0.36
PRKCH P24723 3/20 0.36
PRKCI P41743 3/20 0.36
PRKCE Q02156 3/20 0.36
PRKCQ Q04759 3/20 0.36
PRKCZ Q05513 3/20 0.36
PRKCD Q05655 3/20 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
SCHEMBL25541010 0.79 SSTR4 (0.46) SSTR4CYP3A4CYP2D6LMNAKDM4E
SCHEMBL22794684 0.76 LMNA (0.46) SSTR4CYP3A4CYP2D6LMNAKDM4E
SCHEMBL25529096 0.75 LMNA (0.49) SSTR4CYP3A4CYP2D6LMNAKDM4E
SCHEMBL12691833 0.75 EGFR (0.42) EGFRCYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL1691498 0.73 LMNA (0.53) SSTR4CYP3A4CYP2D6LMNAKDM4E
SCHEMBL16240697 0.70 LMNA (0.55) SSTR4CYP3A4CYP2D6LMNAKDM4E
SCHEMBL16110169 0.70 KDM4E (0.55) SSTR4CYP3A4CYP2D6LMNAKDM4E
SCHEMBL18099784 0.70 EGFR (0.47) EGFRCYP3A4CYP2D6LMNAKDM4E
SCHEMBL19860425 0.70 TNF (0.42) SSTR4CYP3A4CYP2D6LMNAKDM4E
SCHEMBL21895689 0.69 SSTR4 (0.37) SSTR4CYP3A4CYP2D6LMNAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 EGFR 1941/4885SSTR4 300/4885CYP3A4 4104/4885

“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.