SCHEMBL13314186

SCHEMBL13314186

CC(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1O[Si](C)(C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ ENPP1 P22413 2/20 0.47
▸ P2RY1 P47900 2/20 0.47
▸ AHCY P23526 3/20 0.45
▸ ADA P00813 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ PI4KA P42356 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ADCY1 Q08828 1/20 0.43
▸ PI4K2B Q8TCG2 1/20 0.43
▸ PI4K2A Q9BTU6 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43

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
SCHEMBL17227830 1.00 POLB (0.47) POLBENPP1P2RY1AHCYADA
SCHEMBL1564988 1.00 POLB (0.47) POLBENPP1P2RY1AHCYADA
SCHEMBL9744126 0.88 POLB (0.47) POLBENPP1P2RY1AHCYADA
SCHEMBL12369381 0.86 POLB (0.50) POLBENPP1P2RY1AHCYADA
SCHEMBL7215063 0.82 POLB (0.47) POLBENPP1P2RY1AHCYADA
SCHEMBL11986893 0.82 POLB (0.47) POLBENPP1P2RY1AHCYADA
SCHEMBL30197148 0.82 POLB (0.47) POLBENPP1P2RY1AHCYADA
SCHEMBL21317437 0.82 POLB (0.47) POLBENPP1P2RY1AHCYADA
SCHEMBL23417488 0.80 POLB (0.49) POLBENPP1P2RY1AHCYADA
SCHEMBL10021397 0.79 POLB (0.52) POLBENPP1P2RY1AHCYADA

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-20170198283-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2017-07-13 — — US disclosed
US-9688980-B2 Templated molecules and methods for using such molecules NUEVOLUTION (DK) 2017-06-27 — — US disclosed
US-20150315567-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2015-11-05 — — US disclosed
US-8932992-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2015-01-13 — — US disclosed
US-8932992-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2015-01-13 — — US disclosed
US-7727713-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2010-06-01 — — US disclosed
US-7727713-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2010-06-01 — — US disclosed
US-20100016177-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2010-01-21 — — 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-20100016177-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES INTS6, ABL1, INMT POLB 109/4885ENPP1 358/4885P2RY1 4226/4885

“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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