SCHEMBL17889883

SCHEMBL17889883

CC[Si](CC)(O[C@H]1C[C@H](n2ccc3c(NCc4ccccc4)nccc32)O[C@@H]1CO)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ KLKB1 P03952 4/20 0.35
▸ KLK1 P06870 4/20 0.35
▸ SIGMAR1 Q99720 2/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ADORA3 P0DMS8 3/20 0.34
▸ SLC29A1 Q99808 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ METTL3 Q86U44 1/20 0.33
▸ METTL14 Q9HCE5 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ ADORA1 P30542 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ RNASE1 P07998 1/20 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
SCHEMBL1794585 0.91 POLB (0.37) POLBKLKB1KLK1SIGMAR1ADRA2C
SCHEMBL17889881 0.87 NAE1 (0.39) KLKB1KLK1PDE4B
SCHEMBL1798615 0.78 NAE1 (0.40) KLKB1KLK1
SCHEMBL1795226 0.71 NAE1 (0.47) —
SCHEMBL23982117 0.68 SLC29A1 (0.56) ADORA3SLC29A1TP53TDP1ADORA1
SCHEMBL23982210 0.68 SLC29A1 (0.56) ADORA3SLC29A1TP53TDP1ADORA1
SCHEMBL11023477 0.68 SLC29A1 (0.56) ADORA3SLC29A1TP53TDP1ADORA1
SCHEMBL1795963 0.65 POLB (0.49) POLBMETTL3METTL14ADORA1RNASE1
SCHEMBL17889825 0.65 POLB (0.49) POLBMETTL3METTL14ADORA1RNASE1
SCHEMBL12566443 0.65 KLKB1 (0.40) KLKB1KLK1

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-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — 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 (2 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-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 POLB 70/4885KLKB1 3193/4885KLK1 2611/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 POLB 70/4885KLKB1 3193/4885KLK1 2611/4885

“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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