SCHEMBL20435585

SCHEMBL20435585

CC(C)(C)OC(=O)n1c(OBO)cc2c(-c3cccc(F)c3)nccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.37
▸ NTRK1 P04629 3/20 0.35
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ NR1H2 P55055 2/20 0.33
▸ KDM4C Q9H3R0 2/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ AURKB Q96GD4 1/20 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
SCHEMBL20435587 0.85 GABRG2 (0.36) MAP2K4GABRG2GABRB3GABRA5NR1H2
SCHEMBL18485780 0.85 MAP2K4 (0.40) MAP2K4NTRK1GABRG2GABRB3GABRA5
SCHEMBL18437184 0.83 MAP2K4 (0.39) MAP2K4NTRK1GABRG2GABRB3GABRA5
SCHEMBL20409196 0.83 TOP2A (0.40) NR1H2KDM4CKMORPS6KB1CSNK1D
SCHEMBL20463562 0.81 DYRK1A (0.46) MAP2K4GABRG2GABRB3GABRA5NR1H2
SCHEMBL18437356 0.78 MAP2K4 (0.41) MAP2K4NTRK1KDM4CTDO2KMO
SCHEMBL18485085 0.75 GRIA1 (0.39) MAP2K4GABRG2GABRB3GABRA5NR1H2
SCHEMBL20436873 0.73 NR1H2 (0.41) GABRG2GABRB3GABRA5NR1H2GABRA1
SCHEMBL18437192 0.73 GRIA1 (0.39) MAP2K4GABRG2GABRB3GABRA5NR1H2
SCHEMBL20435586 0.73 HRH4 (0.38) GABRG2GABRB3GABRA5ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221341-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-09 — — US disclosed
US-20180221350-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2018-08-09 — — US disclosed
US-20180214429-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-08-02 — — US disclosed
US-20180214427-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-02 — — 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-20180214429-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A MAP2K4 2323/4885NTRK1 1533/4885GABRG2 4375/4885
US-20180214427-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A MAP2K4 2313/4885NTRK1 1571/4885GABRG2 4509/4885
US-20180221350-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A MAP2K4 2314/4885NTRK1 1647/4885GABRG2 4621/4885
US-20180221341-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 MAP2K4 2281/4885NTRK1 1562/4885GABRG2 4353/4885

“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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