SCHEMBL17576038

SCHEMBL17576038

Cc1cc(F)cc(CN[SH](=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ NTRK3 Q16288 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ RAPGEF4 Q8WZA2 2/20 0.32
▸ METAP2 P50579 3/20 0.31

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
SCHEMBL19317370 0.86 PGK1 (0.34) RPS6KB1NR3C1PGRNR3C2
SCHEMBL17571471 0.76 KMT2A (0.41) RPS6KB1NR3C1PGRNR3C2
SCHEMBL11983503 0.76 NOS1 (0.43) RPS6KB1NTRK1NTRK3NTRK2NR3C1
SCHEMBL17896880 0.73 MAP4K4 (0.44) RPS6KB1NTRK1NTRK3NTRK2NR3C1
SCHEMBL16355201 0.72 RPS6KB1 (0.37) RPS6KB1NTRK1NTRK3NTRK2NR3C1
SCHEMBL15587611 0.72 MAP4K4 (0.42) RPS6KB1NTRK1NTRK3NTRK2NR3C1
SCHEMBL14570491 0.71 ACHE (0.39) RPS6KB1NR3C1PGRNR3C2RAPGEF4
SCHEMBL15840092 0.70 SMN1; SMN2 (0.46) —
SCHEMBL13777371 0.70 LMNA (0.52) —
SCHEMBL18251695 0.69 ERCC1 (0.50) RPS6KB1

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-9475825-B2 3-(3H-imidazo[4,5-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2016-10-25 — — US disclosed
US-20160068548-A1 3-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2016-03-10 — — 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 (1 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-20160068548-A1 3-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A RPS6KB1 1099/4885NTRK1 1198/4885NTRK3 215/4885

“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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