SCHEMBL23524281

SCHEMBL23524281

N#Cc1cc(-c2nnc(-c3ccncc3)o2)ccc1NCC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 7/20 0.43
▸ GSK3B P49841 7/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ ATAD2 Q6PL18 1/20 0.39
▸ KDM4E B2RXH2 7/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ HSD17B10 Q99714 6/20 0.39
▸ HPGD P15428 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CDK9 P50750 1/20 0.39

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
SCHEMBL23524128 0.87 CDK2 (0.47) GSK3AGSK3BALDH1A1HSD17B10HPGD
SCHEMBL30355540 0.87 CDK2 (0.47) GSK3AGSK3BALDH1A1HSD17B10HPGD
SCHEMBL23558535 0.81 GSK3B (0.34) GSK3AGSK3BNPC1RAB9AKDM4E
SCHEMBL23524173 0.79 CDK2 (0.48) GSK3AGSK3BS1PR1PRKACACDK8
SCHEMBL30355504 0.79 QPCT (0.40) —
SCHEMBL23523965 0.79 QPCT (0.40) —
SCHEMBL23524013 0.79 TP53 (0.46) TP53PKMMEN1KMT2AS1PR1
SCHEMBL23523715 0.79 CDK2 (0.49) KDM4EALDH1A1
SCHEMBL23524115 0.79 NOS3 (0.42) LMNATSHRCYP1A2
SCHEMBL30355638 0.79 NOS3 (0.42) LMNATSHRCYP1A2

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 9 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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
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 GSK3A 2604/4885GSK3B 2521/4885TP53 4030/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 GSK3A 1230/4885GSK3B 1281/4885TP53 4852/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GSK3A 2604/4885GSK3B 2521/4885TP53 4030/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 GSK3A 2604/4885GSK3B 2521/4885TP53 4030/4885

“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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