SCHEMBL12392575

SCHEMBL12392575

COc1ccc(-c2nc3cc(C(=O)C(C)(C)C)ccc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 10/20 0.58
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 3/20 0.54
PKM P14618 3/20 0.54
COMT P21964 1/20 0.49
RHEB Q15382 1/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
SLC2A1 P11166 1/20 0.49
PRSS12 P56730 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48

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
SCHEMBL15222318 0.86 CHEK2 (0.61) CHEK2MAPT
SCHEMBL15223762 0.86 CHEK2 (0.61) CHEK2NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL12392517 0.86 CHEK2 (0.49) CHEK2NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL1662758 0.86 CHEK2 (0.76) CHEK2NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL12392414 0.85 CHEK2 (0.51) CHEK2NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL12392519 0.84 CYP1A1 (0.52) CHEK2NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL12392588 0.84 CYP1A1 (0.52) CHEK2NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3572190 0.83 CHEK2 (0.71) CHEK2NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL16329601 0.83 CHEK2 (0.58) CHEK2NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3916748 0.83 CHEK2 (0.82) CHEK2NPC1SMN1; SMN2ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2021-07-06 US disclosed
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-9815784-B2 CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2017-11-14 US disclosed
US-9815784-B2 CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2017-11-14 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS BYONDIS B.V. (NL) 2013-08-29 US disclosed
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates BYONDIS B.V. (NL) 2011-08-25 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 (7 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L CHEK2 77/4885NPC1 4105/4885SMN1; SMN2 645/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L CHEK2 77/4885NPC1 4105/4885SMN1; SMN2 645/4885
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates PCNA, CDC5L, TOP1 CHEK2 72/4885NPC1 3077/4885SMN1; SMN2 590/4885
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L CHEK2 77/4885NPC1 4105/4885SMN1; SMN2 645/4885
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers PCNA, DCLRE1A, CDC5L CHEK2 91/4885NPC1 4122/4885SMN1; SMN2 646/4885
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L CHEK2 77/4885NPC1 4105/4885SMN1; SMN2 645/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L CHEK2 77/4885NPC1 4105/4885SMN1; SMN2 645/4885

“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.