SCHEMBL23558535

SCHEMBL23558535

N#Cc1cc(-c2nnc(-c3ccc4c(c3)OCN4)o2)ccc1NCC(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.34
▸ GSK3A P49840 10/20 0.34
▸ AURKA O14965 5/20 0.34
▸ CSNK1E P49674 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ GRM2 Q14416 1/20 0.30

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
SCHEMBL23524281 0.81 GSK3A (0.43) GSK3BGSK3AAURKAKDM4ENPC1
SCHEMBL23524329 0.78 CDK2 (0.41) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL23524173 0.77 CDK2 (0.48) GSK3BGSK3AAURKA
SCHEMBL30355540 0.76 CDK2 (0.47) GSK3BGSK3AALDH1A1SMN1; SMN2KDM4C
SCHEMBL23524128 0.76 CDK2 (0.47) GSK3BGSK3AALDH1A1SMN1; SMN2KDM4C
SCHEMBL30355499 0.75 PARP1 (0.37) —
SCHEMBL23524050 0.75 PARP1 (0.37) —
SCHEMBL23523965 0.75 QPCT (0.40) —
SCHEMBL30355504 0.75 QPCT (0.40) —
SCHEMBL23523715 0.74 CDK2 (0.49) KDM4EALDH1A1

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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 (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 GSK3B 2521/4885GSK3A 2604/4885AURKA 2089/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 GSK3B 2521/4885GSK3A 2604/4885AURKA 2089/4885

“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.

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