SCHEMBL16370404

SCHEMBL16370404

COC(=O)C(C)(C)c1nnc(-c2nn(COCC[Si](C)(C)C)c3nc(C)ccc23)nc1O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.39
▸ PDE5A O76074 11/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL16370484 0.91 DGAT1 (0.39) DGAT1PDE5ANPC1
SCHEMBL18671464 0.89 PDE5A (0.32) PDE5A
SCHEMBL16370405 0.86 DGAT1 (0.33) DGAT1PDE5A
SCHEMBL18671467 0.80 PDE5A (0.33) PDE5A
SCHEMBL16370287 0.78 PDE5A (0.55) PDE5A
SCHEMBL17766175 0.76 PDE5A (0.38) DGAT1PDE5A
SCHEMBL16370265 0.71 PDE5A (0.63) PDE5A
SCHEMBL16370351 0.71 PDE5A (0.62) PDE5A
SCHEMBL16370332 0.70 PDE5A (0.38) DGAT1PDE5A
SCHEMBL15120877 0.69 PDE5A (0.57) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605008-B2 Benzyl-1H-pyrazolo[3,4-b]pyridines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 — — US disclosed
US-9605008-B2 Benzyl-1H-pyrazolo[3,4-b]pyridines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 — — US disclosed
US-9605008-B2 Benzyl-1H-pyrazolo[3,4-b]pyridines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 — — US disclosed
US-20160145271-A1 BENZYL-1H-PYRAZOLO[3,4-B]PYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-26 — — US disclosed
US-20160145271-A1 BENZYL-1H-PYRAZOLO[3,4-B]PYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-26 — — US disclosed
US-20160145271-A1 BENZYL-1H-PYRAZOLO[3,4-B]PYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-26 — — US disclosed
EP-3019506-A1 BENZYL-1H-PYRAZOLO[3,4-B]PYRIDINES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-05-18 — — EP disclosed
WO-2015004105-A1 BENZYL-1H-PYRAZOLO[3,4-B]PYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 — — WO 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-20160145271-A1 BENZYL-1H-PYRAZOLO[3,4-B]PYRIDINES AND USE THEREOF PNPO, PLPBP, CYP4B1 DGAT1 4591/4885PDE5A 439/4885NPC1 874/4885

“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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