SCHEMBL25867667

SCHEMBL25867667

N#Cc1cc(C=O)ccc1NCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
PRKCQ Q04759 5/20 0.37
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CNR2 P34972 1/20 0.35
PTGER4 P35408 4/20 0.35
CHUK O15111 1/20 0.34
PRKCD Q05655 1/20 0.34
LRRK2 Q5S007 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13123319 0.77 XDH (0.42) KDM4C
SCHEMBL20587134 0.76 LIPC (0.47) LIPCLIPGCNR2PTGER4LRRK2
SCHEMBL29673306 0.76 LIPC (0.47) LIPCLIPGCNR2PTGER4LRRK2
SCHEMBL6670189 0.73 KDM4E (0.54) JAK2JAK1PRKCQCHUK
SCHEMBL5414519 0.72 JAK2 (0.54) JAK2JAK1PRKCQ
SCHEMBL15716094 0.69 EGFR (0.38)
SCHEMBL10479168 0.69 ALDH1A1 (0.42) MAPT
SCHEMBL6899726 0.69 ALDH1A1 (0.47)
SCHEMBL15716315 0.68 EGFR (0.37) MAPT
SCHEMBL25370072 0.67 EGFR (0.35) MAPT

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 JAK2 1301/4885JAK1 1560/4885TYK2 2966/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 JAK2 1301/4885JAK1 1560/4885TYK2 2966/4885

“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.