SCHEMBL30355499

SCHEMBL30355499

N#Cc1cc(-c2nnc(-c3ccc4c(c3)C(=O)NCC4)o2)ccc1NCC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.37
▸ PARP10 Q53GL7 5/20 0.37
▸ CTSC P53634 1/20 0.37
▸ MAPK1 P28482 2/20 0.35
▸ F7 P08709 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ PRF1 P14222 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ EED O75530 1/20 0.33
▸ RBBP4 Q09028 1/20 0.33
▸ SUZ12 Q15022 1/20 0.33
▸ EZH2 Q15910 1/20 0.33
▸ AEBP2 Q6ZN18 1/20 0.33
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32

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
SCHEMBL23524050 1.00 PARP1 (0.37) PARP1PARP10CTSCMAPK1F7
SCHEMBL23523764 0.84 PARP1 (0.39) PARP1PARP10CTSCMAPK1F7
SCHEMBL30355470 0.84 PARP1 (0.39) PARP1PARP10CTSCMAPK1F7
SCHEMBL23524329 0.79 CDK2 (0.41) CTSCDPP4KCNH2S1PR5
SCHEMBL23524281 0.78 GSK3A (0.43) —
SCHEMBL23558535 0.75 GSK3B (0.34) —
SCHEMBL30355638 0.75 NOS3 (0.42) CTSCTBK1
SCHEMBL23523715 0.75 CDK2 (0.49) TBK1KCNH2
SCHEMBL23524115 0.75 NOS3 (0.42) CTSCTBK1
SCHEMBL23558332 0.74 S1PR5 (0.34) KCNH2S1PR5

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 PARP1 811/4885PARP10 764/4885CTSC 674/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 PARP1 3263/4885PARP10 2528/4885CTSC 1640/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PARP1 811/4885PARP10 764/4885CTSC 674/4885

“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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